liste des références – equipe temic - · web viewone-electron reduction of disulfide bonds in...

04.12.03PRODUCTION DU LABORATOIRE

(la mise à jour de la production globale du laboratoire est en cours)

Les groupes apparaissent dans cet ordre :

IPG, TESMAC, TEMIC, CTH, BIO + Thèmes Transversaux

Rappel des chapitres :

I. Articles dans des revues à comite de lectureII. Conference ProceedingsIII. Conférences Internationales Invitées IV. Conférences Nationales Invitées

V. Communications orales diverses (poster) VI. Livres et Chapitres de livresVII. Vulgarisation ScientifiqueVIII. CoursIX. ThèsesX. Brevets

Equipe BiophysiqueThèmes Transversaux (récapitulatif)

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I. ARTICLES DANS DES REVUES A COMITE DE LECTURE

Groupe Physico-Chimie des Ions en Phase Gazeuse (IPG)

1998

Bouchoux G., Alcaraz C., Dutuit O. & Nguyen Mint Tho. Unimolecular chemistry of the gaseous cyclopropylamine radical cation, J. Am. Chem. Soc., 120, 152-160, 1998.

Boulanger F., Boissel P., Cesarsky D. & Ryter C. The shape of unidentified infrared bands : analytical fit to ISOCAM spectra, Astronomy and Astrophysics, 339, 194, 1998.

Capron-Dukan L., Mestdagh H. & Rolando C. Gas-phase reactivity of ionic iron complexes, comparison with solution chemistry, Coord. Chem. Rev., 178-180, 269-330, 1998.

Gee C., Boissel P. & Ohanessian G. Metal-acetylene binding in WC2H2+, Chemical

Physics Letters, 298, 85, 1998.

Keister J. W., Baer T., Thissen R., Alcaraz C., Dutuit O., Audier H. & Troude V. Proton tunneling in the loss of hydrogen bromide from energy-selected gas-phase 2-bromobutane cations, J. Phys. Chem. A, 102, 1090-1097, 1998.

Kemper P.R., Weis P., Bowers M.T. & Maître P. Origin of bonding interactions in Cu(H2)n

+ clusters : an experimental and theoretical investigation, J. Am. Chem. Soc., 120, 13494, 1998.

Lemaire J., Mouchère F., Heninger M., Fenistein S., Marx R. & Mauclaire G. Radiative lifetime of CO+ (X2+, ) ions, Int. J. Mass Spectrom. and Ion Processes, 172, 129-135, 1998.

Moughamir K., Atmani A., Mestdagh H. & Rolando C. Activation of tetrabutylammonium hydrogen difluoride with pyridine : a mild and efficient procedure for nucleophilic fluorination, Tetrahedron Lett., 39, 7305-7306, 1998.

Nahon L., Lagarde B., Polack F., Alcaraz C., Dutuit O., Vervloet M. & Ito K.L. A new VUV high resolution undulator-based beamline at super-ACO, Nuclear Instruments and methods in Physics Research, A 404, 418-429, 1998.

Thissen R., Lablanquie P., Hall R.I., Ukai M. & Ito K. Photoionisation of Argon, Krypton and Xenon homonuclear Clusters in the inner valence region, The European Physical Journal D, 4, 335-342, 1998.

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Thissen R., Mourgues P. & Audier H.E. Ionized 1,4-Dioxane : the structure of the m/z 44 and m/z 45 fragment ions revisited, European Mass Spectrometry, 4, 79-81, 1998.

1999

Heninger M., Lemaire J., Fenistein S. & Marx R. Radiative lifetimes measurements of the CO and CD stretching modes in DCO+, Int. J. Mass Spectrom., 185/186/187, 131-137, 1999.

Lemaire J., Heninger M., Marx R. & Mauclaire G. Excitation of C60+ by electrons in a

Fourier transform ion cyclotron resonance ion trap : an experimental determination of the radiative cooling rate through its competition with C2 evaporation, Int. J. Mass Spectrom., 189, 93-102, 1999.

Moughamir K., Mezgueldi B., Atmani A., Mestdagh H. & Rolando C. Direct preparation of vinyl halides from the corresponding ketones and acetyl halides, Tetrahedron Lett., 40, 59-62, 1999.

Parlant G. & Yarkony D.R. A theoretical analysis of the state-specific decomposition of OH(A2 ', N', F1/F2 levels, including the effects of spin-orbit and Coriolis interactions, J. Chem. Phys., 110, 363-376, 1999.

Thissen R, Alcaraz C, Dutuit O, Mourgues P, Chamot-Rooke J & Audier H.E. A hidden hydrogen transfer in the unimolecular reaction of 1-2-dimethoxyethane+°, J. Phys. Chem. A, 103, 5049-5054, 1999.

Thissen R., Audier H. E., Chamot-Rooke J. & Mourgues P. The C3H6O+° fragment from 1,4-dioxane+° revisited, European Mass Spectrom., 5 (3), 147-150, 1999.

Thissen R., Dutuit O., Audier H.E. & Mourgues P. Insights into the C4H8+°potential

energy surface : FT-ICR studies of ion-molecule reactions of D-labelled partners, J. Mass Spectrom., 34 (8), 850-855, 1999.

2000

Bram G., Golfier M. & Marx R. Un siècle de chimie physique 1903-1999 : Un peu d'histoire, J. Chim. Phys., N° hors série (I-XVII), 2000.

Heninger M., Pernot P., Mestdagh H., Boissel P., Lemaire J., Marx R. & Mauclaire G. Successive reactions of iron carbonyl cations with methanol, Int. J. Mass Spectrom., 199, 267-285, 2000.

Mercier B., Compin M., Prevost C., Bellec G., Thissen R., Dutuit O. & Nahon L. Experimental and theoretical study of a differentially-pumped absorption gas cell used as a low energy-pass filter in the VUV photon energy range, J. Vac. Sci. Technol., A 18 (5), 2533-2541, 2000.

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Nahon L., Thissen R., Alcaraz C., Corlier M., Peaupardin P., Marteau F., Marcouillé O. & Brunelle P. Commissioning of OPHELIE in the DC mode: an electromagnetic planar/helical crossed VUV undulator at Super-ACO, Nucl. Instrum. Meth. Phys. Res., A447, 569-586, 2000.

Thissen R., Alcaraz C., Palm H., Hepburn J., Vervloet M. & Dutuit O. Dissociative Photoionization of C2H2-C2H4 and C2H2-C2H6 Van der Waals Complexes, Int. J. Mass Spectrom., 199, 201-209, 2000.

Zabka J., Dutuit O., Dolejsek Z., Polách J. & Herman Z. Crossed Beam Study of the Dynamics of C2H3

+ Formation in Reaction of C2H2+ with Methane, Phys. Chem.

Chem. Phys., 2, 781, 2000.

2001 Nahon L., Alcaraz C., Marlats J.-L., Lagarde B., Polack F., Thissen R., Lepère D. & Ito K. Very-high spectral resolution obtained with SU5 : a VUV undulator-based beamline at Super-ACO, Rev. Sci. Instrum., 72, 1320-1329, 2001.

Nahon L., F. Polack, B. Lagarde, R. Thissen, C. Alcaraz, O. Dutuit & K. Ito. Complete characterization of SU5: a VUV high resolution beamline with variable polarizations, NIM A, 467, 453-457, 2001.

Schröder D., Loos J., Schwarz H., Thissen R. & Dutuit O. Gas-phase properties and fragmentation behavior of cationic, dinuclear iron-chloride clusters Fe2Cln+(n=1-6), Inorg. Chem., 40 (13), 3161-3169, 2001.

Schröder D., Loos J., Schwarz H., Thissen R., Preda D. V., Scott L.T., Caraiman D., Frach M. & Bohme D. Single and double ionization of corannulene and coronene, Helvet. Chimica Acta, 84, 1625-1634, 2001.

Simon A., Lemaire J. , Boissel P. & P. Maître. Competition between agostic WCH and HWCH+: A joint experimental and theoretical study, J. Chem. Phys., 115, 2510-2518, 2001.

** Boissel S.P., Joblin C. & Pernot. P. Singular Value Decomposition : a tool to separate elementary contributions in ISOCAM spectral maps, Astronomy and Astrophysics, 373, L5-L8, 2001.

** Heninger M., Pernot P. & Mestdagh H. Influence of the internal excitation of FeCO+ on its reactivity with O2 observed in Fourier-transform ICR cell, Chem. Phys. Lett., 333, 358-364, 2001.

** Lauvergnat D., Simon A. & Maître P. Valence bond curve-crossing model of the 1,2-hydrogen shift in HCN and isovalent systems, Chem. Phys. Lett., 350, 345-350, 2001.

2002

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Joblin, C., Toublanc, D., Boissel, P. & Tielens, A.G.G.M. (2002) Calculations of the far-infrared emission of C24H12 under interstellar conditions, Mol. Phys., 100, 3595.

Le Caër, S., Heninger, M. & Mestdagh, H. (2002) Successive reactions of iron carbonyl cations with H2O. Influence of a buffer gas on ligand substitution rate, Chem. Phys. Letters, 352, 393-400.

** Le Caër, S., Heninger, M., Pernot, P. & Mestdagh, H. (2002) Successive reactions of iron carbonyl cations with dimethylether : direct cleavage versus rearrangement, Phys. Chem. Chem. Phys., 4, 1855-1865.

** Le Caër, S., Pernot, P., Heninger, M. & Mestdagh, H. (2002) Influence of the internal excitation of Fe(CO)2

+ on its reactivity with dimethylether observed in Fourier transform-ICR cell, Comptes Rendus Chimie, 5, 119-125.

Lemaire, J., Boissel, P., Heninger, M., Mauclaire, G., Bellec, G., Mestdagh, H., Simon, A., Le Caër, S., Ortega, J.-M., Glotin, F. & Maître, P. (2002) Gas phase infrared spectroscopy of selectively prepared ions, Phys. Rev. Lett., 89(27), (273002-1-4).

Loos, J., Schröder, D., Zummack, W., Schwarz, H., Thissen, R. & Dutuit, O. (2002) Dissociation behavior of ionized valeramide. Part I: Experimental studies, Int. J. Mass Spectrom., 214, 105-128.

Nicolas, C., Alcaraz, C., Thissen, R., Zabka, J. & Dutuit, O. (2002) Effects of ion excitation on charge transfer reactions of the Mars, Venus, and Earth ionospheres, Planet. Space Science, 50, 877-887.

Pech, C., Joblin, C. & Boissel, P. (2002) The profiles of the Aromatic Infrared Bands explained with molecular carriers, Astron. & Astrophys., 388, 639.

Schröder, D., Loos, J., Schwarz, H., Dutuit, O., Thissen, R., Audier, H.-E., Mourgues, P. & Lifshitz, C. (2002) Barrier height titration by tunable photoionization combined with chemical monitoring : Unimolecular keto/enol tautomerization of acetamide cation radical, Angew. Chem. Int. Ed., 41, (15), 2748-2751.

Schröder, D., Loos, J., Semialjac, M., Weiske, T., Schwarz, H., Höhne, G., Thissen, R. & Dutuit, O. (2002) Dissociation behavior of ionized valeramide. Part III : An unprecedented temperature effect on the C3/C2 branching ratio and its implications for metastable ion dissociations, Int. J. Mass Spectrom., 214, 155-170.

Simon, A., Macaleese, L., Boissel, P. & Maître, P. (2002) Towards the characterization of the mechanism of the sequential activation of four methane by Ta+, Int. J. Mass. Spectrom., 219, 457-473.

Thissen, R., Dutuit, O., Alcaraz, C., Laprévote, O., Serani, L., Millié, P. & Soudan, J.M. (2002) State-selected dissociation of dehydrovincamine alkaloid stereo-isomers, Phys. Chem. Chem. Phys., 4, 661-667.

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van Heijnsbergen, D., von Helden, G., Meijer, G., Maître, P. & Duncan, M.A. (2002) Infrared spectra of V+-(Benzene) and V+-(Benzene)2 complexes in the gaz phase, J. Am. Chem. Soc., 124, 1562-1563.

Witasse, O., Dutuit, O., Lilensten, J., Thissen, R., Zabka, J., Alcaraz, C., Blelly, P.-L., Bougher, S.W., Engel, S., Andersen, L.H. & Seiersen, K. (2002) Prediction of a CO2

2+

layer in the atmosphere of Mars, Geophys. Res. Letters, 29 (8), (104,1-104,4).

2003

** Heninger, M., Lauvergnat, D., Lemaire, J., Boissel, P., Mauclaire, G. & Marx, R. (2003) Radiative lifetime of vibrationally excited N2H+ and N2D+ molecular ions, Int. J. Mass. Spectrom., 223-224, 669-678.

Le Caër, S., Heninger, M., Maître, P. & Mestdagh, H. (2003) Accurate measurement of the relative bond energies of CO and H2O ligands in Fe+ mono- and bis-ligated complexes, Rapid Communications in Mass Spectrometry, 17, (4), 351-357.

Lecaër, S., Mestdagh, H. & Maître, P. (2003) Condensation reaction versus ligand exchange with first-row transition metal cations : a theoretical study of Cu+ heteroleptic model complexes, Int. J. Mass. Spectrom., sous presse.

Maître, P., LeCaër, S., Simon, A., Jones, W., Lemaire, J., Mestdagh, H., Heninger, M., Mauclaire, G., Boissel, P., Glotin, F. & Ortega, J.-M. (2003) First ultrasensitive spectroscopy of ionic reactive intermediates in gas phase performed by coupling of an IR FEL with an FT-ICR, Nuc. Instr. and. Method. A, sous presse.

Equipe Thermodynamique Expérimentale et Statistique de la Matière Condensée (TESMaC)

1998

Alba-Simionesco C., Morineau D., Frick B., Higonenq N. & Fujimori H. An analysis of the short and intermediate range order in several organic glass-forming liquids from the static structure factor under pressure, J. Non-Crystalline Solids, 235/237, 367-374, 1998.

Bordarier P., Rousseau B. & Fuchs A.H. A model for the static friction behaviour of nanolubricated contacts, Thin Solid Films, 330, 21-26, 1998.

Bordarier P., Schoen M. & Fuchs A.H. Stick-slip phase transition in confined solidlike films from an equilibrium perspective, Phys. Rev. E, 57 (2), 1621-1635, 1998.

Davydov V.A., Agafonov V., Dzyabchenko A.V., Céolin R. & Szwarc H. Packing models for high-pressure polymeric phases of C60, J. Solid State Chem., 141, 164-167, 1998.

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Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Agafonov V., Allouchi H., Céolin R., Dzyabchenko A.V., Senyavin V.M. & Szwarc H. Tetragonal polymerized phase of C60 : formation and properties, Phys. Rev. B, 58, 14786, 1998.

Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Agafonov V., Ceolin R. & Szwarc H. Pressure-induced dimerization of fullerene C60, JETP Lett., 68, 928-934, 1998.

Duval E. & Mermet A. Inelastic X-ray scattering from non-propagating vibrational modes in glasses, Phys. Rev. B, 58, 8159, 1998.

Duval E., Mermet A., Surovtsev N., Jal J.F. & Dianoux A. J. Quasielastic scattering and fast localized relaxation in poly(methylmethacrylate) glass, Phil. Mag., B77, 457, 1998.

Duval E., Mermet A., Surovtsev N.V. & Dianoux A.J. Boson peak, nanostructure and relaxation of glasses, J. of Non Cryst. Solids, 203, 235-237, 1998.

Dysthe D.K., Rousseau B. & Fuchs A.H. Prediction of multicomponent fluid mixture transport properties by molecular dynamics, Int. J. Thermophys., 19 (2), 437-448, 1998.

Ferrer M.-L., Kivelson D., Alba-Simionesco C. & Tarjus G. Supercooled liquids and the glass transition : Temperature as the control variable, J. Chem. Phys., 109, 8010, 1998.

Fuchs A.H., Boutin A. & Rousseau B. Molecular simulations as a tool for predicting phase equilibria and transport properties of fluids, Revue de l'Institut Français du Pétrole, 53 (3), 329-333, 1998.

Gonthier-Vassal A. & Szwarc H. Thermodynamic properties of cycloketones : a DSC study, Thermochimica Acta, 320, 141-154, 1998.

Lachet V., Boutin A., Tavitian B. & Fuchs A.H. Computational study of p-xylene/m-xylene mixtures adsorbed in NaY zeolite, J. Phys. Chem. B, 102 (46), 9224-9233, 1998.

Maillet J.-B., Boutin A., Buttefey S., Calvo F. & Fuchs A.H. From molecular clusters to bulk matter. I. Structure and thermodynamics of small CO2, N2 and SF6 clusters, J. Chem. Phys., 109 (1), 329-337, 1998.

Masciovecchio C., Monaco G., Ruocco G., Sette F., Cunsolo A., Krisch M., Mermet A., Soltwisch M. & Verbeni R. High frequency dynamics of glass forming liquids at the glass transition, Phys. Rev. Lett., 80, 544, 1998.

Mathis Y.-L., Roy P., Tremblay B., Nucara A., Lupi S., Calvani P. & Gerschel A. Magnetic fields discontinuity as a new brighter source of infrared synchrotron

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radiation, Phys. Rev. Lett., 80 (6), 1220-1223, 1998.

Mermet A., Cunsolo A., Duval E., Krisch M., Masciovecchio C., Perghem S., Ruocco G., Sette F., Verbeni R. & Viliani G. Pressure induced in-glass structural transformation in the amorphous polymer poly(methyl methacrylate), Phys. Rev. Lett., 80, 4205, 1998.

Michaud F., Barrio M., Toscani S., López D.O., Tamarit J.Ll., Agafonov V., Szwarc H. & Céolin R. Solid-state studies on single and decagonal crystals of C60 grown from 1,2-dichloroethane, Phys. Rev. B, 57, 10351, 1998.

Morineau D. & Alba-Simionesco C. Hydrogen-bond-induced clustering in the fragile glass-forming liquid m-toluidine : Experiments and simulations, J. Chem. Phys., 109 (19), 8494-8503, 1998.

Morineau D., Alba-Simionesco C., Bellisent-Funel M.-C. & Lauthié M.-F. Experimental indication of structural heterogeneities in fragile hydrogen-bonded liquids, Europhysics Letters, 43 (2), 195-200, 1998.

Moussa F., Roux S., Pressac M., Génin E., Hatchouel M., Trivin F., Rassat A., Céolin R. & Szwarc H. In vivo reaction between [60] fullerene and vitamin A in mouse liver, New J. Chem., 989-992, 1998.

Simon J.-M., Dysthe D.K., Fuchs A.H. & Rousseau B. Thermal diffusion in alkane binary mixtures. A molecular dynamics approach, Fluid Phase Equilibria, 150-151, 151-159, 1998.

Szwarc H. & Gasgnier M. Low energy mechanochemistry : formation of silver and copper from hemioxides, J. Solid State Chem., 136, 51, 1998.

1999

Alba-Simionesco C., Fan J. & Angell C.A. Thermodynamic aspects of the glass transition phenomenon. Molecular liquids with variable interactions, J. Chem. Phys., 110, 5262-5272, 1999.

Calvo F., Boutin A. & Labastie P. Structure of nitrogen molecular clusters (N2)N with 13 <= N <= 55, European Physical Journal D, 9, 189-193, 1999.

Céolin R., López D.O., Barrio M., Agafonov V., Allouchi H., Moussa F., Szwarc H. & Tamarit J.-L. A new hexagonal phase of fullerene C60, Chem. Phys. Lett., 314, 21-26, 1999.

Cunsolo A., Ruocco G., Sette F., Masciovecchio C., Mermet A., Monaco G., Sampoli M. & Verbeni R. Experimental determination of the structural relaxation in liquid water, Phys. Rev. Lett., 82, 775, 1999.

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Davydov V.A., Agafonov V., Allouchi H., Céolin R., A.V. Dzyabchenko & Szwarc H. Tetragonal polymerized phase of C60 : experimental artifact or reality ?, Synthetic Metals, 103, 2415-2416., 1999.

Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Agafonov V., Allouchi H., Céolin R., Dzyabchenko A.V., Senyavin V.M., Szwarc H., Tanaka T. & Komatsu K. Particularities of C60 transformations at 1.5 GPa, J. Phys. Chem., 103, 1800-1804, 1999.

De Sant'Ana H.B., Ungerer P. & De Hemptinne J.C. Evaluation of an improved volume translation for the prediction of hydrocarbon volumetric properties, Fluid Phase Equilibria, 154, 193, 1999.

Delhommelle J., Boutin A. & Fuchs A.H. Molecular simulation of vapor-liquid coexistence curves for hydrogen sulfide - alkane and carbon dioxide - alkane mixtures, Molecular Simulation, 22, 351-368, 1999.

Delhommelle J., Boutin A., Tavitian B., Mackie A.D. & Fuchs A.H. Vapor-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkanes, Molec. Phys., 96, 1517-1524, 1999.

Delhommelle J., Granucci G., Brenner V., Millié P., Boutin A. & Fuchs A.H. A new method for deriving atomic charges and dipoles for n-alkanes : investigation of transferability and geometry-dependence, Molecular Physics, 97 (9), 1117-1128, 1999.

Dysthe D.K., Durandeau M., Fuchs A.H. & Rousseau B. Fluid transport properties by equilibrium molecular dynamics II. Multicomponent systems, J. Chem. Phys., 110 (8), 4060-4067, 1999.

Dysthe D.K., Fuchs A.H. & Rousseau B. Fluid transport properties by equilibrium molecular dynamics I. Methodology at extreme fluid states, J. Chem. Phys., 110 (8), 4047-4059, 1999.

Ferrer M.-L., Sakai H., Kivelson D. & Alba-Simionesco C. Extension of the Angell fragility concept, J. Phys. Chem. B, 103 (20), 4191-4196, 1999.

Fioretto D., Buchenau U., Comez L., Sokolov A., Masciovecchio C., Mermet A., Ruocco G., Sette F., Willner L., Frick B., Richter D. & Verdini L. High-frequency dynamics of glass-forming polybutadiene, Phys. Rev. E, 59, 4470, 1999.

Frick B. & Alba-Simionesco C. Comparison of the pressure and temperature dependence of the elastic incoherent scattering in polybutadiene and polyisobutylene, Physica B, 266, 13-19, 1999.

Gardette M.-F., Chilouet A., Toscani S., Allouchi H., Agafonov V., Rouland J.-C., Szwarc H. & Céolin R. Phase equilibria in the C60-sulphur system, Chem. Phys. Lett.,

9

306, 149-154, 1999.

Kircher O., Böhmer R. & Alba-Simionesco C. Reorientations and translations in a fragile glassformer : magnetic resonnance studies of m-fluoroaniline, J. Mol. Struc., 479, 195-200, 1999.

Lachet V., Boutin A., Tavitian B. & Fuchs A.H. Molecular simulation of p-xylene/m-xylene adsorption in Y zeolites. Single components and binary mixtures study, Langmuir, 15, 8678-8685, 1999.

Maillet J.-B., Boutin A. & Fuchs A.H. From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in CO2 clusters, J. Chem. Phys., 111, 2095-2102, 1999.

Masciovecchio C., Mazzacurati V., Monaco G., Ruocco G., Scopigno T., Sette F., Benassi P., Cunsolo A., Fontana A., Krisch M., Mermet M., Montagna M., Rossi F., Sampoli M., Signorelli G. & Verbeni R. Acoustic nature of the boson peak in vitreous silica, Phil. Mag. B, 79, 2013-2020, 1999.

Miyazaki Y., Sorai M., Lin R., Dworkin A., Szwarc H. & Godard J. Heat capacity of a giant single crystal of C60, Chem. Phys. Lett., 305, 293-297, 1999.

Morineau D., Dosseh G., Alba-Simionesco C. & Llewellyn P. Glass transition, freezing and melting of liquids confined in MCM-41, Phil. Mag. B, 79, 1847-1855, 1999.

Neubauer B., Boutin A., Tavitian B. & Fuchs A.H. Gibbs ensemble simulations of vapour-liquid phase equilibria of cyclic alkanes, Molecular Physics, 97, 769-776, 1999.

Neubauer B., Delhommelle J., Boutin A., Tavitian B. & Fuchs A.H. Monte Carlo simulations of squalane in the Gibbs ensemble, Fluid Phase Equilibria, 155, 167-176, 1999.

Neubauer B., Tavitian B., Boutin A. & Ungerer P. Molecular simulations on volumetric properties of natural gas, Fluid Phase Equilibria, 161, 45-62, 1999.

Porcheron F., Rousseau B., Fuchs A.H. & Schoen M. Monte Carlo simulations of nanoconfined n-decane films, Phys. Chem. Chem. Phys., 1, 4083-4090, 1999.

Senyavin V.M., Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Agafonov V., Allouchi H., Céolin R., Sagon G. & Szwarc H. Spectroscopic properties of individual pressure-polymerized phases of C60, Chem. Phys. Lett., 313, 421-425, 1999.

Simon J.-M., Rousseau B., Dysthe D.K. & Hafskjold B. Thermal diffusion in methane n-decane mixtures by molecular dynamics using spherical and flexible multicenter models, Entropie, 217, 29, 1999.

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Sokolov A.P., Buchenau U., Richter D., Masciovecchio C., Sette F., Mermet A., Fioretto D., Ruocco G., Willner L. & Frick B. Brillouin and Umklapp scattering in polybutadiene: comparison of neutron and X-ray scattering, Phys. Rev. E., 60, R2464, 1999.

Ungerer P., Boutin A. & Fuchs A.H. Direct calculation of bubble points by Monte Carlo simulation, Molec. Phys., 97, 523-539, 1999.

2000

Allouchi H., López D. O., Gardette M.-F., Tamarit J.-L., Agafonov V., Szwarc H. & Céolin R. Thermal and mechanical behaviour of the C60.2 S8 monoclinic compound, Chem. Phys. Lett., 317, 40-44, 2000.

Aoudi A., Dreyfus C., Massot M., Pick R.M., Patkowski A. & Alba-Simionesco C. Light scattering study of the liquid glass transition of m-toluidine, J. Chem. Phys., 112, 9860, 2000.

Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Céolin R., Szwarc H., Allouchi H. & Agafonov V. Spectroscopic study of pressure-polymerized phases of C60, Phys. Rev. B, 61 (18), 11936-11945, 2000.

Delhommelle J., Tschirwitz C., Ungerer P., Granucci G., Millié P., Pattou D. & Fuchs A.H. Derivation of an optimized potential model for phase equilibria (OPPE) for sulfides and thiols, J. Phys. Chem. B, 104, 4745, 2000.

Dosseh G., Morineau D. & Alba-Simionesco C. Benzene confined in MCM-41 below its melting point : A proton NMR study, J. Phys. IV, 10 (P7), 99-102, 2000.

Dysthe D.K., Fuchs A.H. & Rousseau B. Fluid transport properties by equilibrium molecular dynamics. III Evaluation of united atom interaction potential models for pure alkanes, J. Chem. Phys., 112, 7581, 2000.

Gasgnier M., Szwarc H. & Ronez A. Low-energy ball-milling : Transformations of boron nitride powders. Crystallographic and chemical characterizations, J. Mat. Sci., 35, 3003-3009, 2000.

Grell A.S., Masin F., Céolin R., Gardette M.F. & Szwarc H. Molecular dynamics of C60.2S8 : A 13C NMR study, Phys. Rev. B, 62 (6), 3722-3727, 2000.

Krakoviack V. & Alba-Simionesco C. Quantitative investigation of the mean-field scenario for the structural glass transition from a schematic mode-coupling analysis of experimental data, Europhys. Lett., 51 (4), 420, 2000.

Morineau D., Casas F., Alba-Simionesca C., Grosman A., Bellisent-Funel M.C. & Ratovelomanana N. A neutron scattering investigation of the structural properties of glassforming m-toluidine confined in MCM-41, J. Phys. IV, 10 (P7), 95-98, 2000.

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Ungerer P., Beauvais C., Delhommelle J., Boutin A., Rousseau B. & Fuchs A. H. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes, J. Chem. Phys., 112, 5499-5510, 2000.

2001

Alba-Simionesco C. Salient properties of liquids close to the glass transition, Comptes Rendus de l'Académie des Sciences, Série IV, 203-216, 2001.

Boutin A., Buttefey S., Cheetham A.K. & A.H. Fuchs. Molecular simulation of adsorption of guest molecules in zeolitic materials, Mol. Simulation, 27, 267, 2001.

Brubach J.B., Mermet A., Filabozzi A., Gerschel A., Lairez D. & Roy P. Dependence of water dynamics upon confinement size, J. Phys. Chem. B, 105, 430, 2001.

Buttefey S. , Boutin A. & Fuchs A.H. Adsorption of xylene isomers and water in faujasites. A molecular simulation study, Studies in Surf. Sci. and Catalysis, 135, 155, 2001.

Buttefey S., Boutin A., Mellot-Draznieks C. & Fuchs A.H. A simple model for predicting Na+ distribution in anhydrous NaY and NaX zeolites, J. Phys. Chem. B, 105, 9569, 2001.

Céolin R., Tamarit J. Ll., Barrio M., López D.O., Toscani S., Allouchi H., Agafonov V. & Szwarc H. Solid-state studies on a cubic 1:1 solvate of C60 grown from dichloromethane and leading to another hexagonal C60 polymorph, Chem. Mater., 13, 1349-1355, 2001.

Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Pronina O.P., Oleynikov N.N., Céolin R., Agafonov V. & Szwarc H. Pressure-induced dimerization of fullerene C60 : a kinetic study, Chem. Phys. Lett., 333, 224-229, 2001.

Demirjian B.G., G. Dosseh, Chauty A., Ferrer M. L., Morineau D., Lawrence C., Takeda K., D. Kivelson & S. Brown. Metastable solid phase at the crystalline-amorphous border : The glacial phase of triphenyl phosphite, J. Phys. Chem. B, 105 (11), 2107-2116, 2001.

Fuchs A.H. & Cheetham A.K. Adsorption of guest molecules in zeolitic materials : computational aspects, J. Phys. Chem. B, 105, 7375, 2001.

Gasgnier M., Szwarc H., Petit A., Nahmias J. & Loupy A. Alkylation reactions of potassium carboxylates supported on alumina : Comparison between ball-milling, impregnation, and dispersion procedures, J. Chem. Soc. Perkin Transactions, 2, 1233-1238, 2001.

Goujon F., Malfreyt P., Boutin A. & Fuchs A. H. Vapour-liquid phase equilibria of n-alkanes by direct Monte carlo simulations, Mol. Simulation, 27, 99, 2001.

12

Lachet V., Buttefey S., Boutin A. & Fuchs A.H. Molecular simulation of adsorption equilibria of xylene isomers mixtures in faujasite zeolites. A study of the cation exchange effect on adsorption selectivity, Phys. Chem. Chem. Phys., 3, 80-86, 2001.

Lagache M., Ungerer P., Boutin A. & Fuchs A.H. Prediction of thermodynamic derivative properties of fluids by Monte Carlo simulation, Phys. Chem. Chem. Phys., 3, 4333, 2001.

Mellot-Draznieks C., Buttefey S., A. Boutin & A.H. Fuchs. Placement of Cations in NaX Faujasite-Type Zeolite using (N, V,T) Monte Carlo Simulations, Chem. Comm., 21, 2200, 2001.

Pellenq R.J.M., Rousseau B. & Levitz P. A Grand Canonical Monte Carlo study of argon adsorption/condensation in mesoporous silica glasses, Phys. Chem. Chem. Phys., 3, 1207-1212, 2001.

Perronace A., Simon J.M., Rousseau B. & Ciccotti G. Flux expressions and NEMD perturbations for models of semi-flexible molecules, Molec. Phys., 99 (13), 1139-1149, 2001.

Porcheron F., Rousseau B., Schoen M. & Fuchs A.H. Structure and solvation forces in confined alkane films, Phys. Chem. Chem. Phys., 3, 1155-1159, 2001.

Roy P., Brubach J.B., Calvani P., de Marzi G., Filabozzi A., Gerschel A., Giura P., Lupi S., Marcouille O., Mermet A., Nucara A., Orphal J., Paolone A. & Vervloet M. Infrared synchrotron radiation : from the production to the spectroscopic and microscopic applications, Nuclear Instruments and Methods in Physics Research, 2001.

Szwarc H., Grell A.-S., Masin F., Tamarit J.Ll., Miltenburg J.C. van, Allouchi H., Agafonov V., Rodriguez-Carvajal J. & Céolin R. Le solvate C60,2S8 : Mystères et certitudes, J. Phys. IV, 11, Pr 10-41, 2001.

Tamisier-Karolak S.-L., Pagliarusco S., Herrenknecht C., Brettreich M., Hirsch A., Céolin R., Bensasson R. V., Szwarc H. & Moussa F. Electrophoretic behavior of a highly water-soluble dendro [60] fullerene, Electrophoresis, 22, 4341-4346, 2001.

Ungerer P., Boutin A. & Fuchs A.H. Direct calculation of bubble points for alkane mixtures by molecular simulation, Mol. Phys., 99, 1423, 2001.

** Dubois V. , Archirel P. & Boutin A. Monte carlo simulations of Ag+ and Ag in aqueous solution. Redox potential of the Ag+/Ag couple, J. Phys. Chem. B, 105 (38), 9363, 2001.

2002

13

Alba-Simionesco, C., Kivelson, D. & Tarjus, G. (2002) Temperature, density, and pressure dependence of relaxation times in supercooled liquids, J. Chem. Phys., 116, 5033.

Boissière, J., Brubach, B., Mermet, A., Marzi, G.d., Prouzet, E. & Roy, P. (2002) Water confined between lamellar structures of AOT surfactant ; An infrared investigation, J. Phys. Chem. B, 106, (5), 1032-1035.

Bourasseau, E., Ungerer, P., Boutin, A. & Fuchs, A. (2002) Monte Carlo simulation of branched alkanes and long chain n-alkanes with anisotropic united atoms intermolecular potential., Mol. Simulation, 28, (4), 317-336.

Bourasseau, E., Ungerer P. & Boutin A. (2002) Prediction of equilibrium properties of cyclics alkanes by Monte-Carlo simulation. New anisotropic United Atoms Intermolecular potential. New transfer bias method., J. Phys. Chem. B, 106, 5483-5491.

Buttefey, S., Boutin, A. & Fuchs, A.H. (2002) Cation distribution in Faujasite-type zeolites : A test of semi-empirical force fields for Na cations, Mol. Simulation, 28, 1049.

Dysthe, D.K., Renard, F., Porcheron, F. & Rousseau, B. (2002) Fluid in mineral interfaces - Molecular simulations of structure and diffusion, Geophys. Res. Lett., 29, (7), 13208-13211.

Espeau, P., Barrio, M., López, D.O., Tamarit, J.L., Céolin, R., Allouchi, H., Agafonov, V., Masin, F. & Szwarc, H. (2002) Phase Equilibria in the C60 + Ferrocene System and Solid-State Studies of the C60 Ferrocene Solvate, Chem. Mat., 14, 321-326.

Farago, J. (2002) Injected power fluctuations in Langevin equation, J. of Stat. Phys., 107, 781-803.

Frick, B. & Alba-Simionesco, C. (2002) Pressure dependence of the Boson peak in poly(butadiene), Applied Physics A, 74, (suppl.), S549-S551.

Krakoviack, V. & Alba-Simionesco, C. (2002) What can be learned from the mode-coupling schematic approach to experimental data ?, J. Chem. Phys., 117, 2161.

Morineau, D., Xia, Y. & Alba-Simionesco, C. (2002) Finite-size and surface effects on the glass transition of liquid Toluene confined in cylindrical mesopores, J. Chem. Phys., 117, 8966.

Perronace, A., Ciccotti, G., Leroy, F., Fuchs, A.H. & Rousseau, B. (2002) Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics : A comparison with experiments, Phys. Rev. E., 66, 31201-31215.

14

Perronace, A., Leppla, C., Leroy, F., Rousseau, B. & Wiegand, S. (2002) Soret and mass diffusion measurements and molecular dynamics simulations of n-pentane--n-decane mixtures, J. Chem. Phys., 116, (9), 3718-3729.

Porcheron, F., Rousseau, B. & Fuchs, A.H. (2002) Structure of ultrathin confined n-alkane films (n=1, 4, 10) from Monte Carlo simulations, Mol. Phys., 100, (13), 2109-2119.

Porcheron, F., Schoen, M. & Fuchs, A.H. (2002) Monte Carlo simulation of a complex fluid confined to a pore with nanoscopically rough walls, J. Chem. Phys., 116, 5816.

Rousseau, B. & Petravic, J. (2002) Transport coefficients in xylene isomers, J. Phys. Chem. B, 106, (50), 13010-13017.

Sacquin, S., Schoen, M. & Fuchs, A.H. (2002) Fluids confined by nanopatterned substrates of low symmetry, Mol. Phys., 100, 2971.

Teboul, V. & Alba-Simionesco, C. (2002) Properties of a confined molecular glassforming liquid by molecular dynamic simulations, J. Phys. : Condens. Matter., 14, 5699-5709.

2003

Alba-Simionesco, C., Tölle, A., Morineau, D., Farago, B. & Coddens, G. (2003) "de Gennes ", narrowing in supercooled molecular liquids : Evidence for center-of-mass dominated slow dynamics, EPJ B, cond-mat/0103599.

Bourasseau, E., Haboudou, M., Boutin, A., Fuchs, A.H. & Ungerer, P. (2003) “New optimisation method for intermolecular potentials : Optimization of a new anisotropic united atoms potential for olefins : Prediction of equilibrium properties.”, J. Chem. Phys., 118, 3020.

Cailliaux, A., C. Alba-Simionesco, B. Frick, L. Willner & Goncharenko, I. (2003) Local structure and glass transition of polubutadiene up to 4GPa (Rapid Comm.), Phys.Rev.E, 67, (010802).

Frick, B., Alba-Simionesco, C., Andersen, K. & Willner, L. (2003) Influence of Density and Temperature on the Microscopic Structure and the Segmental Relaxation of Polybutadiene, Phys.Rev E, accepté.

Frick, B., Dosseh, G., Cailliaux, A. & Alba-Simionesco, C. (2003) Pressure dependence of the segmental relaxation of polybutadiene and polyisobutylene and influence of molecular weight, Chemical Physics, accepté.

Morineau, D. & Alba-Simionesco, C. (2003) Liquids in confined geometry : How to connect changes in the structure factor to modifications of local order, J. Chem Phys., accepté.

15

** Nicolas, C., Boutin, A., Lévy, B. & Borgis, D. (2003) Molecular simulation of a hydrated electron at different temperatures and pressures, J. Chem. Phys., 118, 9689.

** Pascual, P., Ungerer, P., Tavitian, B., Pernot, P. & Boutin, A. (2003) Development of a transferable guest-host force field for adsorption of hydrocarbons in zeolites. I. Reinvestigation of alkane adsorption in silicalite by grand canonical Monte Carlo simulation, Phys. Chem. Chem. Phys., 5, 3684-3693.

Sacquin, S., Schoen, M. & Fuchs, A.H. (2003) Fluid phase transitions at chemically heterogeneous nonplanar solid substrates. Surface versus confinement effects, J. Chem. Phys., 118, 1453.

Tarjus, G., Alba-Simionesco, C., Grousson, M., Viot, P. & Kivelson, D. (2003) Locally preferred structure and Frustration in Glassforming Liquids : a clue to polymorphism, J. Phys. : Condens. Matter., sous presse.

Tölle, A. & Alba-Simionesco, C. (2003) Neutron scattering studies of liquid, glassy and crystalline toluene, J. Chem.Phys., accepté.

Equipe Transfert d’Electrons en Milieu Condensé (TEMiC)

1998

Amouyal E., Penaud-Berruyer F., Azhari D., Ait-Haddou H., Fontenas C., Bejan E., Daran J.-C. & Balavoine G. Synthesis and characterization of two ruthenium(II) heteroleptic complexes of annelated derivatives of 2,2'-bipyridine, New J. Chem., 22, 373-380, 1998.

Belhouari A., Keita B., Nadjo L. & Contant R. Efficient conversion of NO into N2O by electroreduced selected heteropolyanions, New J. Chem., 83, 1998.

Belloni J., Marignier J.L. & Gaillard M. ELYSE : une nouvelle infrastructure pour la chimie physique d'Orsay, Cahiers de Radiobiologie, 8, 25-28, 1998.

Belloni J., Mostafavi M., Rémita H., Marignier J.-L. & Delcourt M.O. Radiation-induced synthesis of mono- and multi-metallic clusters and nanocelloids, New J. Chem., 22, 1239-1255, 1998.

Bonhote P., Lecas A. & Amouyal E. Bi- and tri-nuclear ruthenium(II) complexes containing tetrapyridophenazine as a rigid bridging ligand, Chem. Commun., 8, 885-886, 1998.

El Baraka M., Jannot J. M., Ruhlmann L., Giraudeau A., Deunié M. & Seta P. Photoinduced energy transfert and electron transfert in a porphyrin triad H2TPP-V2+-ZnOEP,2ClO4-, Photochem. Photobio. A : Chem., 113, 163, 1998.

Gachard E., Rémita H., Khatouri J., Belloni J., Keita B. & Nadjo L. Radiation-induced and chemical formation of gold clusters, New J. Chem., 22, 1257-1265, 1998.

16

Grand D., Electron transfer in reverse micellar solutions : influence of the interfacial bound water, J. Phys. Chem. B, 102, 4322, 1998.

Keita B., Belhouari A., Nadjo L. & Contant R. Substituent effect in the electrochemistry of Dawson-type ditungstophosphates : some strategic parameters for apparently multiple electronation on the first waves of heteropolyanions, J. Electroanal. Chem., 442, 49-57, 1998.

Keita B., Nadjo L. & Contant R. New electroactive metal oxides electrodeposited from selected Keggin and Sawson heteropolyanions, J. Electroanal. Chem., 443, 168, 1998.

Lampre I., Markovitsi D., Sharonov A. & Veber M. Triarylpyrylium salts : dynamics of the monomer-dimer equilibrium via a triplet absorption study, Chem. Phys. Lett., 293, 423, 1998.

Mahmoud A., Keita B. & Nadjo L. EQCM study of the process of silicomobyldic anion doping in polyaniline films electrosynthesized in the presence of various anions, J. Electroanal. Chem., 446, 211, 1998.

Morgenstern-Badarau I., Lambert F., Deroche A., Cesario M., Guilhem J., Keita B. & Nadjo L. Sterically hindered iron (II) complex of a new tripodal polyimidazole ligand. Structure and reactivity toward superoxide, Inorganica Chimica Acta, 234, 275-276, 1998.

Ruhlmann L., Nakamura A., Vos H. & Fuhrhop J.-H. Manganese porphyrin heterodimers and -trimers in aqueous solution, Inorg. Chem., 37, 6052, 1998.

Tréguer M., De Cointet C., Rémita H., Khatouri J., Mostafavi M., Amblard J., Belloni J. & de Keyzer R. Dose rate on radiolytic synthesis of gold-silver bimetallic clusters in solution, J. Phys. Chem.B, 102, 4310-4321, 1998.

1999

Aït-Haddou H., Bejan E., Daran J.C., Balavoine G.A. , Berruyer-Penaud F., Bonazzola L., Smaoui-Chaabouni H. & Amouyal E. New ruthenium(II) heteroleptic complexes containing the 4-(2-pyridyl)pyrimidine ligand with amine and amino acid substituents, J. Chem. Soc., Dalton Trans., 3095-3101, 1999.

Ashokkumar M. & Marignier J.-L. Hydrogen and oxygen evolution from water using Ag and AgCl colloids., J. Hydrogen Energy, 24, 17-20, 1999.

Belloni J., Tréguer M., Remita H. & Keyzer R. De. Enhancement yield of photoinduced electrons in doped silver halide crystals, Nature, 402, 865-867, 1999.

17

Burel L., Mostafavi M., Murata S. & Tachiya M. Transient effect in fluorescence quenching by electron transfer. 4 - mechanism of quenching in nonpolar solvent, J. Phys. Chem. A, 103, 5882, 1999.

Cheraiti M., Brik M.E., Bricard L., Keita B., Nadjo L. & Gaudemer A. Synthesis and electrochemical studies of a new iron tetra-catecholamines complex, Bioorg. & Med. Chem. Lett., 9, 2309, 1999.

Cheraiti M., Brik M.E., Keita B., Nadjo L. & Gaudemer A. Electrochemical and esr spin trap studies of a new iron tetra-catecholamines complex, Bioorg. & Med. Chem. Lett., 9, 2315, 1999.

Coradin T., Clément R., Amouyal E., Holt J. & Francis A. Intercalate aggregation and NLO properties of intercalated lamellar chalcogeno phosphate lattices, Mat. Res. Soc. Symp. Proc., 548, 91, 1999.

Cudic M., Dendane M., Houée-Levin C. & Ducrocq C. Efficiency of NO2 and peroxynitrite to nitrate angiotensin II. NO prevents NO2 nitration, Eur. J. Biochem., 265, 1-6, 1999.

El Hanine C., Conte D., Jacquot J.-P. & Houée-Levin C. Redox properties of protein disulfide bonds : comparison between lysozyme an dthioredoxin. A gamma radiolysis study, Res. Chem. Intermediates, 25, 313-321, 1999.

Faraggi M. & Houée-Levin C. Some aspects of the chemistry and biology of the superoxide radical anion, J. Chem. Phys., 96, 71-84, 1999.

Fuhrhop J.–H., Ruhlmann L., Messerschmidt C., Zimmermann J. & Fudickar W. Rigidity in synkinetic molecular monolayers of functional lipids, Pure. Appl. Chem., 1999.

Fuhrhop J.–H., Svenson S., Böttcher C., Träger C., Demoulin P., Schneider J., Messerschmidt C., Ruhlmann L. & Zimmermann J. Non-covalent Fibers in Aqueous Gels and Their Functionalization, Bull. Mater. Sci., 22, 101, 1999.

Keita B., Abdeljalil E., Girard F., Gerschwiler S., Nadjo L., Contant R. & Haut C. Electrochemically-induced transformations of heteropolyanions : new electroactive metal oxide films studied by EQCM, J. Solid State Electrochem., 3, 446, 1999.

Keita B., F.Girard, Nadjo L., Contant R., Canny J. & Richet M. Metal ion complexes derived from the 1 isomer of [P2W17O61]10- : comparison with the corresponding 2 species, J. Electroanal. Chem., 478, 76, 1999.

Keita B., Lu Y.W., Nadjo L., Contant R., Abbessi M., Canny J. & Richet M. Electrochemical and catalytic behaviour of Dawson-type complexes derived from [(1),2,3-P2Mo2W15O61]10- and first transition metal ions, J. Electroanal. Chem., 477, 146, 1999.

18

Lainé P. & Amouyal E. Photophysical properties of osmium(II) complexes with the 4'-p-phenylterpyridine-triarylpyridinium novel ligand, Chem. Commun., 935-936, 1999.

Mahmoud A., Keita B., Nadjo L., Oung O., Contant R., Brown S. & De Kouchkovski Y. Coupled electron and proton transfers : compared behaviours of oxometalates in aqueous solution or after entrapment in polymeric matrices, J. Electroanal. Chem., 463, 129, 1999.

Poumellec B., Guenot Ph., Nadjo L., Keita B. & Nicolardot M. Information obtained from the surface profile of a cut single-mode fiber, J. Lightwave Technology, 17, 1357, 1999.

Rémita S., Picq G., Khatouri J. & Mostafavi M. Radiolytic formation of bilayered Ptcore/Aushell and Aucore/Ptshell clusters in aqueous solution, Radiat. Phys. Chem. Journal, 54, 463-473, 1999.

Roselli C., Perly B., Duchêne D. & Wouessidjewe D. 1H-NMR contribution to prove the formation of inclusion complex between nimesulide and beta-cyclodextrin and its hydrophilic derivatives, STP Pharma Sciences, 1999.

Ruhlmann L., Lobstein S., Gross M. & A. Giraudeau. An electrosynthetic path towards pentaporphyrins, J. Org. Chem., 64, 1352-1355, 1999.

Ruhlmann L., Schulz A., Giraudeau A., Messerschmidt C. & Fuhrhop J.–H. Polycationic Zinc-5,15-Dichlorooctaethylporphyrinate - Viologen Wire, J. Am. Chem. Soc., 121, 6664-6667, 1999.

Zimmermann J., Fudickar W., Ruhlmann L., Schneider B., Roeder U., Siggel U. & Fuhrhop J.H. Fluorescence quenching and size selective heterodimerization of a porphyrin adsorbed to gold and embedded in rigid membrane gaps, J. Am. Chem. Soc., 121, 9539-9545, 1999.

2000

Audette M., Blouquit Y. & Houée-Levin C. Oxidative dimerization of proteins : role of tyrosine accessibility, Arch. Biochem. Biophys., 376, 217-220, 2000.

Audette M., Chen X., Houée-Levin C., Potier M. & Maire M. le. Protein radiolysis in frozen solutions is a macromolecular surface phenomenon : fragmentation of lysozyme, citrate synthase and lactalbumin in native or denatured states, Int. J. Radiat. Biol., 76, 673-681, 2000.

Belloni J., Delcourt M.O., Houée-Levin C. & Mostafavi M. Radiation Chemistry, In "Annual Reports on the Progress of Chemistry", Royal Chem. Soc. sect.C, 96, 225-295, 2000.

19

Belloni J. & Mostafavi M. Landmarks in Radiation Chemistry in "Un siècle de Chimie Physique", J. Chim. Phys. (N° hors série), 11-26, 2000.

Bergès J., Fuster F., Jacquot J.-P., Silvi B. & Houée-Levin C. Influence of protonation on the stability of disulfide radical, Nukleonika, 45, 23-30, 2000.

Contant R., Abbessi M., Canny J., Richet M., Keita B., Belhouari A. & Nadjo L. Synthesis, characterization and electrochemistry of complexes complexes derived from [(1),2,3-P2Mo2W15O61]10- and first transition metal ions, Eur. J. Inorg. Chem., 567-574, 2000.

Draeger Ch., Böttcher Ch., Messerschmidt Ch. , Ruhlmann L. , Siggel U., Hammarström J.-L., Berglund-Baudin H. & Fuhrhop J.H. Isolable and fluorescent mesoscopic micelle made of an amphiphilic derivative of tris-bipyridyl ruthenium hexafluorophosphate, Langmuir, 16, 2068-2077, 2000.

El Hanine C., Conte D., Jacquot J.-P. & Houée-Levin C. Redox properties of protein disulfide bonds in oxidized thioredoxin and lysozyme. A pulse radiolysis study, Biochemistry, 39, 9295-9301, 2000.

François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Optical limitation induced by gold clusters : 1. Size effect, J. Phys. Chem. B, 104, 6133, 2000.

Keita B., Abdeljalil E., Nadjo L., Avisse B., Contant R., Canny J. & Richet M. Ligand and electrolyte effects in the electroreduction of copper-substituted heteropolyanions, Electrochemistry Communications, 2, 145-149, 2000.

Keita B., Contant R., Abdeljalil E., Girard F. & Nadjo L. Electrodeposition of films from the tetrameric complex [(HOAs)4P2Mo12O46]4-, Electrochemistry Communications, 2, 295-300, 2000.

Keita B., Lu Y.W., Nadjo L. & Contant R. Salient electrochemical and electrocatalytic behaviours of the crown heteroplyanion K28Li5H7P8W48O184 .92 H2O, Electrochemistry Communications, 2, 720-726, 2000.

Lampre I., Pernot P. & Mostafavi M. Spectral properties and redox potentials of silver atoms complexed by chloride ions in aqueous solution, J. Phys. Chem. B, 104, 6233-6239, 2000.

Lhiaubet V., Gutierrez F., Penaud-Berruyer F., Amouyal E., Daudey J-P., Poteau R., N.Chouini-Lalanne & Paillous N. Spectroscopic and theoretical studies of the excited states of fenofibric acid and ketoprofen in relation with their photosensitizing properties, New J. Chem., 24, 403-410, 2000.

Mostafavi M., Liu Y.P., Pernot P. & Belloni J. Dose rate effect on size of CdS clusters induced by irradiation, Rad. Phys. and Chem., 59, 49-59, 2000.

20

Torigoe K., Rémita H., Picq G., Belloni J. & Bazin D. Characterization of supported Pt Carbonyl clusters by EXAFS, J. Phys. Chem. B, 104, 7050-7056, 2000.

2001

Abdeljalil E., Keita B., Nadjo L. & Contant R. Electrochemistry, STM and AFM of thin metal oxide films electrodeposited from [P2Mo18O62]6-, J. Solid State Electrochem., 5, 94-106, 2001.

Amatore C. , Arbault S. , Bruce D., de Oliveira P., Erard M. & Vuillaume M. Microelectrodes in artificial synapses : a study of oxidative stress at the cellular level, Port. Electrochim. Acta, 19, 145-163, 2001.

Amatore C. , Arbault S. , Bruce D., de Oliveira P., Erard M. & Vuillaume M. Characterization of the electrochemical oxidation of peroxynitrite : relevance to oxidative stress bursts measured at the single cell level, Chem. Eur. J., 7, 4171-4179, 2001.

de La Vaissière B., Sandall J.P.B. , Fowler P.W. , de Oliveira P. & Bensasson R.V. Regioselectivity in radical reactions of C60 derivatives, J. Chem. Soc., Perkin Trans., 2, 821-823, 2001.

François L., Mostafavi M., Belloni J. & Delaire J. Optical limitation induced by gold clusters : Mechanism and Efficiency, Phys. Chem. Chem. Phys., 3, 4965-4971, 2001.

François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P. Size-dependent efficiency of optical limiting induced by gold clusters, Nonlinear optics, 27, 319-329, 2001.

Giraudeau A., Lobtein S., Ruhlmann L., Melamed D., Barkigia K. M. & Fajer J. Electrosynthesis, Electrochemistry, and Crystal Structure of the Tetrationic Zn-meso-Tetrapyridinium--Octaethylporphyrin, J. of Porphyrin and phtalocyanine, 793-797, 2001.

Gobert F., Pommeret S., Vigneron G., Buguet S., Haidar R., Mialocq J.C., Lampre I. & Mostafavi M. Nanosecond kinetics of hydrated electrons upon water photolysis by high intensity femtosecond UV pulses, Res. Chem. Intermed., 1-10, 2001.

Keita B., Abdeljalil E., Nadjo L., Contant R. & Belgiche R. First examples of efficient participation of selected metal-ion-substituted heteropolyanions in electrocatalytic nitrate reduction, Electrochemistry Communications, 3, 56-62, 2001.

Keita B., Girard F., Nadjo L., Belghiche R. & Abbessi M. Cyclic voltammetry evidence of facilitation of the reduction of nitrite by the presence of molybdemun in (Fe or Cu)-substituted heteropolytungstates, J. Electroanal. Chem., 508, 70-80, 2001.

21

Keita B., Mbomekalle I. M., Nadjo L. & Contant R. [H4AsW18O62]7- a novel Dawson heteropolyanion and two of its sandwich-type derivatives [Zn4(H2O)2(H4AsW15O56)2]18-, [Cu4(H2O)2(H4AsW15O56)2]18- : cyclic voltammetry and electrocatalytic properties towards nitrite and nitrate, Electrochemistry Communications, 3, 267-273, 2001.

Konstantaki M., Koudoumas E., Couris S., Lainé P., Amouyal E. & Leach S. Substantial non-linear optical response of new polyads based on Ru and Os complexes of modified terpyridines, J. Phys. Chem. B, 105, 10797, 2001.

Mostafavi M. & Renou F. Reactivity of the solvated electron toward divalent magnesium, Chem. Phys. Letters, 335, 363-368, 2001.

Pommeret S., Gobert F ., Mostafavi M., I. Lampre & J.C. Mialocq. Femtochemistry of hydrated electron at decimolar concentration, J. Phys. Chem., 105, 11400-11406, 2001.

Ruhlmann L. & Giraudeau A. A first series of diphosphonium electrochemically bridged porphyrins, J. Eur. Inorg. Chem., 659-668, 2001.

Ruhlmann L., Zimmermann J., Fudickar W., Siggel U. & Fuhrhop J. -H. Heterodimers and -Trimers of Meso-tetra(isophtalicacid)porphyrin with meso- and -tetramethyl pyridinium-porphyrins in Water, J. Electroanal. Chem., 503, 1-14, 2001.

Sohna Sohna J.E. , Carrier V., Fages F. & Amouyal E. Intramolecular electronic energy transfer in a pyrene-labelled ruthenium(II)-trisbipyridine hemicage complex, Inorg. Chem., 40, 6061, 2001.

** Tréguer M., Rémita H., Pernot P., Khatouri J. & Belloni J. Redox kinetics of carbonyl platinum clusters studied by pulse radiolysis, J. Phys. Chem. A, 105, 6102-6108, 2001.

2002

Barrio, M., de Oliveira, P., Céolin, R., D.O. Lopez & J.Ll.Tamarit (2002) Polymorphism of 2-Methyl-2-chloropropane and 2,2-Dimethylpropane (Neopentane) : Thermodynamic Evidence for a High-Pressure Orientationally Disordered Rhombohedral Phase through Topological p-T Diagrams, Chem. Mater., 14, 851-857.

Belghiche, R., Contant, R., Lu, Y.W., Keita, B., Abbessi, M. & Nadjo, L. (2002) Synthesis and Characterization of Fe or Cu-Substituted Molybdenum-Rich Tungsto-Diphosphates, Eur. J. Inorg. Chem., 1410-1414.

Belloni, J. (2002) The role of silver clusters in Photography, C.R. Physique, C., Physique, Bréchignac and P. Cahuzac, Eds, 3, 381-390.

22

Contant, R., Richet, M., Lu, Y.W., Keita, B. & Nadjo, L. (2002) Isomerically Pure 1-Monosubstituted Tungstodiphosphates : Synthesis Characterization and Stability in Aqueous Solutions, Eur. J. Inorg. Chem., 2587-2593.

De Waele, V., Schmidhammer, U., Mrozek, T., Daub, J. & Riedle, E. (2002) Ultrafast bidirectional dihydroazule/vinyl-heptafulvene (dha/vhf) molecular switches : The photochemical ring closure of vinylheptafulvene proven by a two pulses experiment, J. Am. Chem. Soc., 124, 2438-2439.

Keita, B., Benaissa, M., Nadjo, L. & Contant, R. (2002) Dioxygen and hydrogen peroxide electrocatalytic reduction : evidence for cooperativity of Mo and Cu centres in substituted heteropolyanions, Electrochemistry Communications, 4, 663-668.

** Keita, B., Jean, Y., Lévy, B., L. Nadjo & Contant, R. (2002) Toward a qualitative understanding of the initial electron transfer site in Dawson-type heteropolyanions, New J. Chem., 26, 1314-1319.

Keita, B., Mbomekalle, I.M., Nadjo, L. & Contant, R. (2002) Compared behaviours of Dawson-type tungstodiarsenates and -diphosphates, Eur. J. Inorg. Chem., 473-479.

Kortz, U., Mbomekalle, I.M., Keita, B., Nadjo, L. & Berthet, P. (2002) Sandwich-Type Phosphotungstates : Structure, Electrochemistry, and Magnetism of theTrinickel-Substituted Polyoxoanion [Ni3Na(H2O)(PW9O34)2]11-, Inorg. Chem., 41, 6412-6416.

Kortz, U., Savelieff, M.G., Bassil, B.S., Keita, B. & Nadjo, L. (2002) Synthesis and characterization of iron(III)-substituted, dimeric polyoxotungstates, [Fe4(H2O)10(XW9O33)2]n- (n = 6, X = AsIII, SbIII; n = 4, X = SeIV, TeIIV), Inorg. Chem., 41, 783-789.

Krolicki, R., Jarzeba W., Mostafavi, M. & Lampre I. (2002) Preferential solvation of coumarin 153, the role of hydrogen bonding, J. Phys. Chem. A, 106, 1708-1713.

Krolicki, R., Jarzeba W., Soroushian, B., Lampre I. & Mostafavi, M. (2002) Hydrogen bonded complexes of Coumarin 153, Bull. Pol. Acad. Sci., Chem Phys., 435, 50.

Lainé, P., Bedioui, F., Amouyal, E., Albin, V. & Berruyer-Penaud, F. (2002) Triarylpyridinium-functionalized terpyridyl ligands for photosensitized supramolecular architechtures. Intercomponent coupling and photoinduced processes, Chem. Eur. J., 8, 3162-3176.

Lainé, P., Bedioui, F., Ochsenbein, P., Marvaud, V., Bonin, M. & Amouyal, E. (2002) A new class of functionalized terpyridyl ligands as building blocks for photosensitized supramolecular architechtures. Synthesis, structural, and electronic properties, J. Am. Chem. Soc., 124, 1364-1377.

Mostafavi, M., Dey, G.R., François, L. & Belloni, J. (2002) Transient and stable silver clusters induced by radiolysis in methanol, J. Phys. Chem., 106, 10184-10194.

23

Mostafavi, M., Lin, M., Wu, G., Katsumura, Y. & Muroya, Y. (2002) Pulse radiolysis study of absorption spectra of Ag° and Ag2+

in water from room temperature up to 380°C, J. Phys. Chem. A, 106, 3123-3127.

Ruhlmann, L., Canny, J. & Thouvenot, R. (2002) Two Novel Dawson-Derived Sandwich of Composition : Na18[(NaOH2)2Co2(P2W15O56)2] and Na17[(NaOH2)Co3(H2O)(P2W15O56)2]. Synthesis, Spectroscopic Characterization and Electrochemical Behaviour, Inorg. Chem., 41, 3811-3819.

Ruhlmann, L., Nadjo, L., Canny, J., Contant, R. & Thouvenot, R. (2002) Di- and Tetranuclear Dawson-Derived Sandwich Complexes : Synthesis, Spectroscopic Characterization and Electrochemical Behavior, Eur. J. Inorg. Chem., 975-986.

Torigoe, K., Rémita, H., Beaunier, P. & Belloni, J. (2002) Radiolytic synthesis of bimetallic silver-rhodium nanoclusters in aqueous solution, Radiat. Phys. Chem., 64, 215-222.

Toscani, S., de Oliveira, P. & Céolin, R. (2002) IV. The Trimorphism of Ferrocene and the Overall Metastability of Its Triclinic Phase, J. Solid State Chem., 164, 131-137.

Tréguer, M., Rémita, H., Belloni, J. & De Keyzer, R. (2002) Carbonyl platinum clusters as silver halide dopant for photographic latent image formation, J. Imaging Sc., 46, 193-199.

2003

Fettouhi, M., El Ali, B., Morsy, M., Golhen, S., Ouahab, L., Le Guennic, B., Saillard, J.Y., Daro, N., Sutter, J.P. & Amouyal, E. (2003) Metal-dependent ferro- versus antiferromagnetic interactions in molecular crystals of square planar {M(II) imino-nitroxide radical} complexes (M = Pt, Pd), Inorg. Chem., 42, 1316-1321.

Mbomekalle, I.M., Keita, B., Nadjo, L. & Berthet, P. (2003) Direct and improved synthesis of tri-nickel sandwich-type polyanion [Ni3Na(H2O)(PW9O34)2]11-, Inorg. Chem. Commun., 6, 435-438.

Mbomekalle, I.M., Keita, B., Nadjo, L., Berthet, P., Hardcastle, K.I., Hill, C.L. & Anderson, T.M. (2003) Multi-Iron Tungstodiarseniates. Synthesis, Characterization and Electrocatalytic Studies of -(FeIIIOH2)2FeIII

2(As2W15O56)212-, Inorg. Chem., 42, 1163-1169.

Mbomekalle, I.M., Keita, B., Nadjo, L., Contant, R., Belai, N. & Pope, M.T. (2003) Rationalization and improvement of the synthesis of two octadecatungstoarseniates :The novel -K7[H4AsW18O62].18H2O and the well known symmetrical -K6[As2W18O62].14H2O, Inorg. Chim. Acta, 342, 219-228.

Rémita, H., Etcheberry, A. & Belloni, J. (2003) Dose rate effect on bimetallic gold-palladium cluster structure, J. Phys. Chem. B, 107, 31-36.

24

** Renou, F., Mostafavi, M., Archirel, P., Bonazzola, L. & Pernot, P. (2003) Solvated electron pairing with earth alkaline-metals in THF. I Formation and structure of the pair with divalent magnesium, J. Phys. Chem. A., sous presse.

Groupe Chimie Théorique (CTh)

1998

Barea G., Lledos A., Maseras F. & Jean Y. Cis, trans, cis or all-cis geometry in d0

dioxo octahedral complexes. An IMOMM study of the role of steric effects, Inorg. Chem., 37, 3321, 1998.

Bellaïche L., Besson J.-L., Kunc K. & Lévy B. The role of electronic correlation on the equation of state of LiH, Phys. Rev. Letters, 80, 5576, 1998.

Braïda B., Hiberty P.C. & Savin A. A Systematic failing of current density functionals : Overestimation of two-center three-electron bonding energies, J. Phys. Chem. A, 102, 7872, 1998.

Demachy I. & Volatron F. bonds vs. agostic interaction in three-coordinated alkoxy and thiolate derivatives of aluminium, boron and cationic carbon. An ab initio study of H2X-YR systems (X=AI, C+; Y=O,S ; R=H, CH3), Eur. J. Inorg. Chem., 1015, 1998.

Fleurat-Lessard P. & Volatron F. Structural consequences of -donation by NR2 groups : Ab initio study of tetrakis (dimethylamino)ethylene (TDAE) and its unsubstituted analog, J. Phys. Chem. A, 102, 10151, 1998.

Gatti F., Iung C. & Chapuisat X. Vector parametrization of the three-atom problem in quantum mechanics. II. Valence vectors, J. Mol. Struc. (Theochem.), 430, 201-208, 1998.

Gatti F., Iung C., Leforestier C., Menou M., Justum Y., Nauts A. & Chapuisat X. Vector parametrization of the three-atom problem in quantum mechanics, J. Mol. Struc. (Theochem.), 424, 181-199, 1998.

Gatti F., Iung C., Menou M. & Chapuisat X. Vector parametrization of the N-atom problem in quantum mechanics. II-. Coupled-angular-momentum spectral representations for four-atom systems, J. Chem. Phys., 108, 8821-8829, 1998.

Gatti F., Iung C., Menou M., Justum Y., Nauts A. & Chapuisat X. Vector parametrization of the N-atom problem in quantum mechanics. I-Jacobi vectors, J. Chem. Phys., 108, 8804-8820, 1998.

Hiberty P.C. Thinking and Computing Valence Bond in Organic Chemistry, J. Mol. Struc. (Theochem), 451, 237, 1998.

Hiberty P.C. & Berthe-Gaujac N. F4+ : A stable three-electron bonded complex and a

challenge for standard ab Initio computational methods, J. Phys. Chem. A., 102, 3169, 1998.

25

Humbel S. & Hiberty P.C. On the suggestion of a heteronuclear C/O through-space three-electron bond in tetrahydropyran radical, J. Mol. Struc. (Theochem), 424, 57, 1998.

Jean Y. p-Phenylenebis(methylene) : p , p and electronic states, J. Mol. Struc. (Theochem), 424, 29, 1998.

Jean Y. & Lledos A. Phosphines exchange in quadruply-bonded metal dimers : theoretical proposal for an alternative to the internal flip mechanism, Chem. Comm., 1443, 1998.

Justum Y., Gatti F., Menou M. & Chapuisat X. One-dimensional quantum description of the bending vibrations of HCN/CNH, J. Mol. Struct. (Theochem.), 453, 131-140, 1998.

Lauvergnat D. & Clary D.C. Reactive scattering of highly vibrationally excited oxygene molecules : ozone formation ?, J. Chem. Phys., 108, 3566-3573, 1998.

Lévy B. & Enescu M. Theoretical study of methylene blue ; a new method to determine partial atomic charge ; investigation of the interaction with guanine, J. Mol. Struct. (Theochem), 432, 235, 1998.

Lledos A. & Jean Y. A density functional study of the internal rotation in the quadruply-bonded Mo2CL4 (PH3)4 complex, Chem. Phys. Lett., 287, 243, 1998.

Shafizadeh A.C, Brechignac P, Dyndgaert M, Fillion F.H, Gauyacq D, Lévy B, Miller J.C, Pino T & Raoult M. A,C and D electronic states of Ar-NO revisited ; experiment and theory, J. Chem. Phys., 108, 9313, 1998.

Tomas J., Lledos A. & Jean Y. The Kubas'complex revisited. Oxidative addition of dihydrogen and structure of the dihydride form, Organometallics, 17, 190, 1998.

Tomas J., Lledos A. & Jean Y. A theoretical insight into the ability of Group 6 ML5 metal fragments to break the H-H bond, Organometallics, 17, 4932, 1998.

1999

Aukauloo A., Ottenwaelder X., Ruiz R., Poussereau S., Pei Y., Journaux Y., Fleurat P., Volatron F., Cervera B. & Munoz M.C. A Square-planar dinickel(II) complex with a noninnocent binucleating oxamate ligand: evidence for a ligand radical species, Eur. J. Inorg. Chem, 1067, 1999.

Castarlenas R., Esteruelas M.A., Gutiérrez-Puebla E., Jean Y., Lledos A., Martin A. & Tomas J. Synthesis and characterization of OsH2Cl[N,O-(ON=CR2)](PiPr3)2 (CR2=C(CH2)4CH2, R=CH3] : Influence of the L2 ligand on the nature of the H2 unit in OsH2ClL2(PiPr3)2 (L2 = ONCR2,NHC(Ph)C6H4) complexes, Organometallics, 18, 4296, 1999.

26

Colombet L., Volatron F., Maître P. & Hiberty P.C. Ortho, meta and para diphosphabenzenes and their P2(C-H)4 valence isomers. An Ab initio theoretical study, J. Am. Chem. Soc, 121, 4215, 1999.

Demachy I., Jean Y. & Lledos A. Structure and internal rotation in quadruply bonded -Mo2CL4 (P-P)2 complexes : a DFT study of the cis-Mo2CL4 (PH3)4 complex, Chem. Phys. Lett., 303, 621, 1999.

Demachy I., Jean Y. & Lledos A. DFT study of the role of bridging diphosphine ligands on the structure and the internal rotation in quadruply bonded metal dimers of Mo2Cl4(P-P)2 type, Inorg. Chem., 38, 5443, 1999.

Desouter-Lecomte M. & Chapuisat X. Quantum-Mechanical statistical theories for chemical reactivity. Overlapping resonances, Phys. Chem. Chem. Phys., 1, 2635, 1999.

Fleurat-Lessard P., Pointet K. & A. Milliet. Constrasting behavior of tetracene and perylene in Collision-Induced dissociation : a theoretical interpretation, J. Mass. Spectrum, 34, 768-773, 1999.

Fleurat-Lessard P., Pointet K. & Renou-Gonnord M.F. Quantitative determination of PAHs in Diesel Engine Exhausts by GC-MS, J. Chem. Ed., 76, 962-965, 1999.

Fontaine-Aupart M.P., Renault E., Videlot C., Tfibel F., Pansu R., Charlier M. & Pernot P. Base-specific photocleavage of DNA induced by pazelliptine sensitization : study of the mechanism by time-resolved absorption and fluorescence, Photochem. Photobiol., 70, 829-840, 1999.

Ridard J. & Lévy B. Effective atomic charges in alanine dipeptide, J. Comput. Chem., 20 (5), 473-482, 1999.

Shurki A., Hiberty P.C. & Shaik S. Charge-Shift Bond in Group IVB Halides : A Valence Bond Study of MH3-Cl (M=C, Si, Ge, Sn, Pb) Molecules, J. Amer. Chem. Soc., 121, 822, 1999.

Vaeck N., Desouter-Lecomte M. & Liévin J. Non-adiabatic wave packet dynamics for charge exchange processes in ion-atom collisions, J. Phys. B At. Mol. Opt., 32, 409, 1999.

2000

Archirel P., Dubois V. & Maître Ph. On the R2PI spectrum of Ag(NH3) : a theoretical study of the quasidegeneracy of the first excited states, Chem. Phys. Lett., 323, 7-13, 2000.

27

Blasco S., Demachy I., Lledos A. & Jean Y. DFT study of the chelated (a) and bridged (b) isomers in the quadruply bonded bimetallic complexes Mo2Cl4(H2P(CH2)nPH2)2 (n=1,2), Inorganica. Chim. Acta, 837, 300-302, 2000.

Braïda B. & Hiberty P.C. Diatomic halogen anions and related three-electron-bonded anion radicals : very contrasted performances of Moller-Plesset methods in symmetric vs dissymetric cases, J. Phys. Chem. A, 104 (19), 4618-4628, 2000.

Castarlenas R., Esteruelas M.A., Gutiérrez-Puebla E., Jean Y., Lledos A., Martin A., Onate E. & Tomas J. Synthesis, characterization and theoretical study of stable Hydride-azavinylidene Osmium(IV), Organometallics, 19, 3100, 2000.

Dognon J.-P., Durand S., Granucci G., Lévy B., Millié P. & Rabbe C. Atomic charges for molecular dynamics calculations, J. Mol. Struct. (Theochem), 507, 17-23, 2000.

Dubois V., Archirel P. & Maître Ph. Theoretical study of the rearrangement of Ag(NH3)2 after electronic excitation. Comparison with Na(NH3)2, Chem. Phys. Lett., 323, 1-6, 2000.

El Hanine M., Dukan L., Maître P., Breckenridge W.H., Massick S. & Soep B. Solvation of magnesium and singly ionised atoms in NH3 clusters, theory and experiment., J. Chem. Phys., 112, 10912, 2000.

Enescu M., Lévy B. & Gheorghe V. Molecular dynamics simulation of methylene blue - Guanine complex in water : the role of solvent in stacking, J. Phys. Chem. B, 104, 1073-1077, 2000.

Fleurat-Lessard P. & Volatron F. Structure of triamido aluminum complexes. A theoretical ab-initio/IMOMM study, Inorg. Chem., 39, 1849, 2000.

Galbraith J.M., Blank E., Shaik S. & Hiberty P.C. -Bonding in second and third row molecules : testing the strength of Linus's blanket, Chem. Eur. J., 6, 2425, 2000.

Malégat L., Citrini F., Selles P. & Archirel P. Double photoionisation of Ca : a theoretical study, J. Phys. B, 33, 2409-2418, 2000.

Mostafavi M., Liu Y.P., Pernot P. & Belloni J. Dose rate effect on size of CdS clusters induced by irradiation, Rad. Phys. and Chem., 59, 49-59, 2000.

2001

Baloïtcha E., Desouter-Lecomte M., Bacchus-Montabonel M.-C. & Vaeck N. Wave-packet methods for charge exchange processes in ion-atom collision, J. Chem. Phys., 114, 8741-8751, 2001.

Blasco S., Demachy I., Jean Y. & Lledos A. DFT study of the structural and redox properties of Cp2Fe2S4

q complexes (q = 0, +2, +1 and-2), New J. Chem., 25, 611, 2001.

28

Bouchoux G., Berruyer-Penaud F. & Bertrand W. Structure, thermochemistry and reactivity of protonated glycoaldehyde, Eur. J. of Mass Spectrom., 7, 351-357, 2001.

Bouchoux G., Choret N. & Berruyer-Penaud F. Protonation thermochemistry of -alkyldiamines in the gas phase : a theoretical study, J. Phys. Chem. A, 105, 3989-3994, 2001.

Bouchoux G., Choret N., Berruyer-Penaud F. & Flammang R. Unimolecular Reactivity of Protonated ,-Alkyldiamines in the Gas Phase, J. Phys. Chem., 105, 9166-9177, 2001.

Braïda B., Lauvergnat D. & Hiberty P.C. Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations, J. Chem. Phys., 115 (90), 2001.

Burdujan R., D'angelo J., Desmaële D., Zouhiri F., Tauc P., Brochon J.-C., Auclair C., Mouscadet J.-F., Pernot P., Tfibel F., Enescu M. & Fontaine-Aupart M.-P. Spectroscopy and photophysics of styrylquinoline-type HIV-1 integrase inhibitors and its oxidized forms studied by steady state and time resolved absorption and fluorescence, Physical chemistry chemical physics, 3, 3797-3804, 2001.

Castarlenas R., Esteruelas M. A., Jean Y., Lledos A., Onate E. & Tomas J. Formation and stereochemistry of octahedral cationic hydride-azavinylidene Osmium(IV) complexes, Eur. J. Inorg. Chem., 2871, 2001.

Jug K., Hiberty P.C. & Shaik S. The energy separation in modern electronic theory for ground states of conjugated systems, Chem. Rev., 101, 1477-1500, 2001.

Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. A harmonic Adiabatic Approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules", J. Chem. Phys., 114, 6592, 2001.

Méreau R., Rayez M.T., Rayez J.C. & Hiberty P.C. Alkoxy radical decomposition explained by a valence bond model, Phys. Chem. Chem. Phys., 3, 3656, 2001.

Rosa P., Mezailles N. , Ricard L. , Mathey F., Le Floch P. & Jean Y. Dianionic iron and ruthenium (-2) biphosphinine complexes: a formal d10 ruthenium complex with a square planar geometry, Angew. Chem. Int. Ed., 40, 1251, 2001.

Shaik S., Shurki A., Danovich D. & Hiberty P.C. A different story of -delocalization. The distortivity of -electrons and its chemical manisfestations, Chem. Rev., 101, 1501-1539, 2001.

Shaik S., Wu W., Dong K., Song L. & Hiberty P.C. Identity hydrogen abstraction reactions, MH3* + M'H4 Ø MH4 + M'H3* (M= C, Si, Ge, Sn, Pb) : a Valence Bond Modeling, J. Phys. Chem. A, 105, 8226, 2001.

Vaeck N., Bacchus M.-C., Baloïtcha E. & Desouter-Lecomte M. Electron capture cross section from time dependent methods, Phys. Rev. A, 63, 042704 - 042708, 2001.

29

** Boissel S.P., Joblin C. & Pernot. P. Singular Value Decomposition : a tool to separate elementary contributions in ISOCAM spectral maps, Astronomy and Astrophysics, 373, L5-L8, 2001.

** Dubois V. , Archirel P. & Boutin A. Monte carlo simulations of Ag+ and Ag in aqueous solution. Redox potential of the Ag+/Ag couple, J. Phys. Chem. B, 105 (38), 9363, 2001.

** Heninger M., Pernot P. & Mestdagh H. Influence of the internal excitation of FeCO+ on its reactivity with O2 observed in Fourier-transform ICR cell, Chem. Phys. Lett., 333, 358-364, 2001.

** Lauvergnat D., Simon A. & Maître P. Valence bond curve-crossing model of the 1,2-hydrogen shift in HCN and isovalent systems, Chem. Phys. Lett., 350, 345-350, 2001.

** Steenkeste K., Guiot E., Tfibel F., Pernot P., Mérola F., Georges P. & Fontaine-Aupart M.P. Camptothecine-guanine interactions : mechanism of charge transfer reaction upon photoexcitation. Special issue on "Photoprocesses in multichromophoric molecular assemblies", Chem. Physics, in press., 275 (1/3), 2001.

** Tréguer M., Rémita H., Pernot P., Khatouri J. & Belloni J. Redox kinetics of carbonyl platinum clusters studied by pulse radiolysis, J. Phys. Chem. A, 105, 6102-6108, 2001.

2002

Baloïtcha, E., Lasorne, B., Lauvergnat, D., Dive, G., Justum, Y. & Desouter-Lecomte, M. (2002) Cumulative reaction probability by constrained dynamics. H transfer in HCN, H2CO and H3CO, J. Chem. Phys., 117, 727-739.

Blasco, S., Demachy, I., Jean, Y. & Lledos, A. (2002) From chelating to bridging diphosphine ligands in quadruply-bonded bimetallic complexes: a non-dissociative phosphines exchange mechanism, New J. Chem., 26, 1118-1121.

Bouchoux, G., Choret, N., Berruyer-Penaud, F. & Flammang, R. (2002) Thermochemistry and unimolecular reactivity of protonated -aminoalcohols in the gaz phase, Int. J. Mass Spectrom., 217, 195-230.

Bouyacoub, A. & Volatron, F. (2002) The aza-Payne rearrangement : a theoretical DFT study of the counterion and solvent effects, Eur. J. Org. Chem., 4143-4150.

Braïda, B., Hazebroucq, S. & Hiberty, P.C. (2002) Methyl substituent effects in [HnX\XHn]+ three-electron-bonded radical cations (X= F, O; N, Cl, S, P; n=1-3). An ab initio theoretical study, J. Amer. Chem. Soc., 124, 2371-2378.

30

Braïda, B., Thogersen, L., Wu, W. & Hiberty, P.C. (2002) Stability, Metastability and Unstability of Three-Electron-Bonded Radical Anions. A Model ab initio Study, J. Amer. Chem. Soc., 124, 11781-11790.

Brems, V. & Desouter-Lecomte, M. (2002) Memory kernels and effective Hamiltonians from time-dependent methods. II. Vibrational predissociation, J. Chem. Phys., 116, 8318-8326.

Carbo, J.J., Crochet, P., Esteruelas, M.A., Jean, Y., Lledos, A., Lopez, A.N. & Onate, E. (2002) Two- and four-electron-alkyne ligands in osmimium-cyclopentadienyle chemistry : consequences of theM interaction, Organometallics, 21, 305-314.

Dubois, V. & Archirel, P. (2002) Monte-Carlo Simulations of Ag2+ and Ag2 in Aqueous

Solution, J. Phys. Chem. B, 106, 12022-12030.

Enescu, M., Ridard, J., Gheorghe, V. & Levy, B. (2002) Electron transfer modeling in condensed phase by molecular dynamics : Application to optically excited methylene blue - guanine complex in water., J. Phys. Chem. B, 106, 176-184.

Fleurat-Lessard, P., Durupthy, O. & Volatron, F. (2002) Theoretical ab initio study of Xenon pentafluoride anion. Mechanism of Xenon pseudorotation, Chem. Phys. Letters, 363, 505-508.

Hiberty, P.C. & Shaik, S. (2002) BOVB - A Modern Valence bond method that Includes dynamic correlation, Theor. Chem. Acc., 108, 255-272.

Justum, Y., Gatti, F., Lauvergnat, D., Nauts, A. & Chapuisat, X. (2002) One-dimensional quantum description of bending vibrations of HCN/CNH for high values of total angular momentum, Spectrochimica Acta Part A, 58, 649-661.


Lauvergnat, D., Justum, Y., Desouter-Lecomte, M. & Chapuisat, X. (2002) Wave packet propagation for constrained molecular systems. Spectroscopic applications to triatomic molecules, J. Mol. Struct. (Theochem), 577, 1-16.

Lauvergnat, D. & Nauts , A. (2002) Exact numerical computation of a kinetic energy operator in curvilinear coordinates, J. Chem. Phys., 116, 8560-8570.

** Le Caër, S., Heninger, M., Pernot, P. & Mestdagh, H. (2002) Successive reactions of iron carbonyl cations with dimethylether : direct cleavage versus rearrangement, Phys. Chem. Chem. Phys., 4, 1855-1865.



31

Perreux, L., Loupy, A. & Volatron, F. (2002) Solvent-free preparation of amides from acids and primary amines under microwave irradiation, Tetrahedron, 58, 2155-2162.

Shaik, S., Visser, S.P.d., Wu, W., Song, L. & Hiberty, P.C. (2002) Reply to Comment on " Identity Hydrogen Abstraction Reactions, X + H-X' -> X-H + X' (X=X' = CH3, SiH3, GeH3, SnH3, PbH3) : A Valence Bond Modeling", J. Phys. Chem. A, 106, 5043-5045.

Sivignon, G., Fleurat-Lessard, P., Onno, J.-M. & Volatron, F. (2002) Does back-bonding involve bonding orbitals in boryl complexes? A theoretical DFT study, Inorg. Chem., 41, 6656-6661.

Song, L., Wu, W., Dong, K., Hiberty, P.C. & Shaik, S. (2002) Valence Bond Modeling of Barriers in the Nonidentity Hydrogen Abstraction Reactions, X'o + H-X -> X'-H + Xo (X' # X = CH3, SiH3, GeH3, SnH3, PbH3), J. Phys. Chem. A, 106, 11361-11370.

Vaeck, N., Baloïtcha, E., Desouter-Lecomte, M. & Bacchus-Montabonel, M.-C. (2002) Rate Coefficient Determination in Charge Transfer Reactions, Int. J. of Mol. Sci., 3, 176-189.

2003

Blasco, S., Demachy, I., Jean, Y. & Lledos, A. (2003) A DFT study of the magnetic properties and the iron-iron interaction in the Cp2Fe2(1-S2, -2-S2) and Cp2Fe2(-(2, 1)-S2)2 isomers of Cp2Fe2S4 complexes", Theochem., sous presse.

Braïda, B. & Hiberty, P.C. (2003) A Simplified G2 Scheme for Determining Electron Affinities of Covalent Bonds. Application to the Disulfide Bond RS-SR' (R, R' : H, CH3, C2H5), J. Phys. Chem. A, sous presse.


Hiberty, P.C. & Shaik, S. (2003) Myth and Reality in the Attitude Toward Valence Bond (VB) : Are its "Failures" Real? Helvetica Chim. Acta, sous presse.

Lasorne, B., Dive, G., Lauvergnat, D. & Desouter-Lecomte, M. (2003) Wave packet dynamics along bifurcating reaction paths, J. Chem. Phys., 118, 5831-5840.

** Nicolas, C., Boutin, A., Lévy, B. & Borgis, D. (2003) Molecular simulation of a hydrated electron at different temperatures and pressures, J. Chem. Phys., sous presse.

** Pascual, P., Ungerer, P., Tavitian, B., Pernot, P. & Boutin, A. (2003) Development of a transferable guest-host force field for adsorption of hydrocarbons in zeolites. I. Reinvestigation of alkane adsorption in silicalite by grand canonical Monte Carlo simulation, Phys. Chem. Chem. Phys., 5, 3684-3693.

32


Shurki, A., Hiberty, P.C., Dijkstra, F. & Shaik, S. (2003) Aromaticity and Antiaromaticity: What Role Do Ionic Configurations Play in Delocalization and Induction of Magnetic Properties? J. Phys. Org. Chem., sous presse.

33

II. CONFERENCE PROCEEDINGS


Thissen R., Audier H., Mourgues P. & Chamot-Rooke J. Réexamen de la structure des ions fragments C3H6O

+° du 1,4-Dioxane ionisé "Journées Francaises de Spectrométrie de masse", 8-10 septembre 1998.

Thissen R., Bushnell J., Alcaraz C. & Dutuit O., Role of the reactant internal energy in bimolecular reactions applications to the ion-molecule chemistry of titan's ionosphere, in “Jovian system after Galileo and Saturnian System before Cassini” (Nantes), 11-15 mai 1998.

Alcaraz C., Thissen R., Jolly A., Drescher M. & Nahon L., First polarization measurements of OPHELIE : a verstile polarization VUV undulator at Super-ACO, in “Proceeding of the SPIE conference”, 3773, pp. 250-261,1999.

Thissen R., Alcaraz C., Bushnell J., Nicolas C. & Dutuit O., Effects of vibrational and electronic excitation of ions on the photochemistry of Titan ionosphere, in “European Geophysical Society, XXIV General Assembly” (The Hague, Pays-Bas), 19-23 avril 1999.

Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O., Photoionisation and photodissociation of stereoisomers, in “Gordon conference : Structure, Energetics and Reaction Dynamics of Gaseous Ions” (Ventura, USA), 28 février-5mars 1999.

Alcaraz C., Thissen R. & Dutuit O., MATI and synchrotron radiation : Ion-Molecule reactions as a probe of state-selection, in “International Workshop on Photoionisation” (Carry-le-Rouet), 8-12 octobre 2000.

Alcaraz C., Thissen R., Nicolas C. & Dutuit O., Study of state-selected N2+ ions :

dissociation and reactivity with methane, in “Conference proceedings of the 12th Symposium on Atomic and Surface Physics and Related Topics (SASP 2000)” (Folgaria, Italie), 30 janvier-5 février 2000.

Joblin C., Maillard J.P., Vauglin I., Pech C. & Boissel P., Probing the connection between PAHs and hydrogen (H, H2) in the interstellar medium and in the laboratory, in “H2 in Space”, F. Combes and G. Pineau des Forêts Eds. (Cambridge University Press) 2000.

Joblin, C., Boissel, P., Pech, C., Armengaud, M. & Frabel, P. (2002) A piece of interstellar medium in the laboratory : the PIRENEA experiment, in Infrared and Submillimeter Space Astronomy, M. Giard ed., EDP Sciences, EAS Publications Series, Vol. 4, p. 73.

34

Pech, C., Joblin, C., Boissel, P., Armengaud, M. & Frabel, P. (2002) Photophysics of interstellar PAHs+ in the PIRENEA experiment, in Infrared and Submillimetre Space Astronomy, M. Giard ed., EDP Sciences, EAS Publications Series, Vol. 4, p. 297.


Lachet V., Buttefey S., Tavitian B., Boutin A. & Fuchs A.H., Molecular simulation of adsorption separation of xylene isomers in faujasite zeolites, in “Fundamentals of Adsorption”, 6, pp. 879-884, (Elsevier)1998.

Krakoviack V. & Alba-Simionesco C., Schematic mode-coupling approach to experimental data, in “Physics of glasses, structure and dynamics, AIP conference 489”, pp. 243,1999.

Tarjus G., Alba-Simionesco C., Ferrer M.-L., Sakai H. & Kivelson D., The viscous slowing down of supercooled liquids as a temperature-controlled activated process. Evidence and consequences, in “Slow dynamics in complex system, AIP Conference proceedings 469 of the 8th Tohwa Symposium”, pp. 466, Eds. I. Oppenheim and M. Tokuyama Eds.1999.

Roy P., Marcouille O., Paolone A., Giura P. & Gerschel A., New higher brilliance sources of infrared synchrotron radiation: toward an edge radiation ondulator, in “Proceedings of the 12th International Conference on Fourier Transform Spectroscopy”, (Waseda University Enterprise Press (WUP))2000.


Belloni J., Rémita H., Tréguer M. & Mostafavi M., Radiolytic synthesis of mono- and bi-metallic nanoclusters, in “Trombay Symp. Radiation and Photochem.” (Mumbaï, Inde), pp. 318-319, Janvier 1998.

Belloni J., Tréguer M., Rémita H. & Keyzer R. De, Effective quantum yield : new approach of enhancement of the electron-hole pair escape, in “Proc. ICPS” (Antwerpen, Belgique), pp. 243-247, Septembre 1998.

Belloni J., Rémita H., Marignier J.-L., Delcourt M.O. & Mostafavi M. Radiation-induced synthesis of metal clusters in solutions. Nuclearity effects and aplications "Proc. 11th Int. Congress of Radiat. Research" (Dublin, Irlande), juillet 1999.

Ruhlmann L., Messerschmidt C., Zimmermann J. & Fuhrhop J.–H., Rigid angström clefts in lipids membrane on solid surfaces, in “Supramolecular Chemistry”, series NATO ASI Eds. (Kluwer Academic Publishers, Dordrecht, Netherland)1999.

Tréguer M., Rémita H., Khatouri J. & Belloni J. Redox kinetics of carbonyl platinum clusters studied by pulse radiolysis "Proc. 11th Int. Congress of Radiat. Research" (Dublin, Irlande), 2, pp 89-92, 1999.

35

Audette M., Cudic M., Blouquit Y., Ducrocq C. & Houée-Levin C., Reactivity of tyrosine residues in peptides and proteins, in “11th ICRR”, 2000.

Belloni J., M. Tréguer, Rémita H. & Keyzer R., Enhancement of the electron-hole pair escape in AgX decrystals, in “Trombay Symposium on Radiation and Photochemistry” (Trombay, Inde), pp. 362-369, janvier 2000.

Belloni J., Tréguer M., Rémita H. & de Keyzer R., Enhanced yield of photo-induced electrons in doped silver-halide crystals, in “Proc. Prospects for Application of Radiation toward the 21 th Century” (Tokyo, Japon), mars 2000.

François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P., Size-dependent efficiency of optical limiting induced by gold cluster, in “Proc. Venice Congress on Nonlinear Optics”,2000.

Lampre I. & Mostafavi M., Pulse radiolysis study of AgCl4- reduction in solution, in “Trombay Symposium on Radiation and Photochemistry” (Mumbaï, Inde), pp. 356-361, janvier 2000.

Pommeret S., Gobert F., Haidar R., Buguet S., Vigneron G., Mialocq J.C., Mostafavi M., Lampre I. & Pernot P. Interaction of terawatt laser pulses with neat water, The 12th Int. Conf. on Ultrafast Phenomena, OSA Technical Digest (Optical Society of America, Washington DC), 489-491, 2000.

Belloni, J., Mostafavi, M., Rémita, H. & Marignier, J.L. (2002) Contribution of radiation chemistry to cluster science and applications, in International Symposium on Scientific and Industrial NanotechnologySanken.

Marignier, J.L. (2003) L'accélérateur d'électrons picoseconde ELYSE à Orsay. Sixième Colloque sur les Sources Cohérentes et Incohérentes UVX 2002, in Sixième Colloque sur les Sources Cohérentes et Incohérentes UVX 2002J. Phys. IV (Editions de Physique) in press..

36

III. CONFERENCES INTERNATIONALES INVITEES


Dutuit O., Alcaraz C., Palm H. & Thissen R. State-selected ion-molecule reaction with synchrotron radiation "SASP (Symposium on Atomic and Surface Physics and Related Topics), Progress Report" (Going, Autriche), pp 3-7 à 3-9, 25-30 janvier 1998.

Dutuit O., Alcaraz C. & Thissen R. State-selected ion-molecule reaction studied with synchrotron radiation "French-Taiwanese Workshop on Molecular Dynamics of Alkali/Hydrogen Reactions" (Orsay), 12-14 octobre 1998.


FTICR ion trap : an experimental determination of the radiative cooling rate through its competition with C2 evaporation "Atelier pluridisciplinaire franco-chinois" (Hefei, Chine), 19-24 septembre 1998.

Maître P. Gas phase organometallic chemistry : joint experimental and theoretical approach "Pour une synergie entre la théorie et l'expérience : application à la réactivité en chimie organique" (Louvain-la-Neuve, Belgique), juin 1998.

Dutuit O. State-selected ion-molecule reaction studied with synchrotron radiation "5th Gordon Research Conf. on “Structure, Energies and Dynamics of Gaseous Ions”" (Ventura, California, USA), 5 février-5 mars 1999.

Dutuit O., Alcaraz C. & Thissen R. State-selected ion-molecule reaction with small hydrocarbons studied with synchrotron radiation "Conference on “Molecular Energy Transfer”" (Assisi, Italie), 20-25 juin 1999.

Mauclaire G., Lemaire J., Heninger M. & Marx R. Excitation of C60+ by electrons in a

Fourier transform ion cyclotron resonance ion trap : an experimental determination of the radiative cooling rate through its competition with C2 evaporation "5th European Fourier Transform Mass Spectrometry Workshop" (University of Warwick, Coventry, U.K.), 16-18 septembre 1999.

Thissen R. The use of few-bunch mode at LURE how, who and outcomes. Présentation of the various types of experiments "Bessy Users Meeting", 9-10 décembre 1999.

Dutuit O. State-selected ion-molecule reaction studied with synchrotron radiation in LURE "INF Meeting (National Conference on Physics of Matter)" (Genova, Italie), 12-16 juin 2000.

Dutuit O., Synchrotron radiation studies of ion-molecule reactions in the atmosphere of Titan, in “SALA (Synchrotrons, Accelerators and Laboratory Astrophysics)” (Aarhus, Danemark), 30 août-1er septembre 2000.

37

Thissen R., Alcaraz C. & Dutuit O., State-selected ion dissociation studied with synchrotron radiation, in “International Conference on Molecular Beam” (Rome, Italie), 3-8 juin 2001.

Alcaraz, C., Nicolas, C., Thissen, R., Zabka, J. & Dutuit, O. (2002) State-selected ion-molecule reactions of planetary interest, International Workshop on Photoionization (IWP2002). Hyogo, Japan, 22-26 august, Spring-8.

Maître, P., Le Caër, S., Simon, A., Jones, W., Lemaire, J., Mestdagh, H., Heninger, M., Mauclaire, G., Boissel, P., Glotin, F. & Ortega, J.-M. (2002) First ultrasensitive spectroscopy of ionic reactive intermediates in gas phase performed by coupling of an IR FEL with an FT-ICR (conférence invitée), 9th free-electron laser workshop. Chicago, USA, September.

Mestdagh, H., Dutuit, O., Thissen, R., Alcaraz, C. & Heninger, M. (2002) Fragmentation and reactivity of energy-selected ferrocenium ions, XIIIth Symposium on Atomic, cluster and Surface Physics, SASP 2002. Going (Autriche), 17-22 février.

Nicolas, C., Zabka, J., Thissen, R., Dutuit, O. & Alcaraz, C. (2002) Ion internal excitation and CO2

++ reactivity : Effect on the Titan, Mars and Venus ionospheric, 27th General Assembly of the European Geophysical Society. Nice, France, 21 - 26 April.

Thissen, R., Dutuit, O. & Alcaraz, C. (2002) Dissociation and reactivity of molecules of biological relevance ; recent results obtained on CERISES set-up coupled to synchrotron radiation, Molecules of Biological Interest in the Gas Phase - EuroConference on Fundamental Studies and Applications. Wildbad Kreuth Germany, 21 - 26 July.


Alba-Simionesco. Relaxation processes in glassforming liquids under pressure by inelastic neutron scattering experiments "4th International Workshop on "Quasi-elastic neutron scattering"" (Nyköping, Suède), août 1998.

Alba-Simionesco C. Temperature or density as the control variable for the glass transition in supercooled molecular liquids "2nd Workshop on “Non equilibrium phenomena in supercooled fluids, glasses and amorphous materials”" (Pise, Italie), septembre 1998.

Alba-Simionesco C. Relaxation processes in glass forming liquids under pressure by inelastic neutron scattering experiments. "4th International Workshop on “Quasi-Elastic Neutron Scattering”" (Nyköping, Suède), août 1998.

Fuchs A.H. Molecular fluids in confined geometries "CECAM workshop : “Algorithms for simulating complex molecular systems”" (ENS Lyon), 28 Avril 1998.

38

Fuchs A.H. Simulating molecular fluids in confined geometries "London Atomistic Simulation Group Meeting" (Imperial College, Londres), 15 septembre 1998.

Fuchs A.H. A model for the static friction behavior in nanolubricated contacts "Wilhelm Heinrich Heraeus und Else Heraeus-Stiftung, WE-Heraeus Seminar 203: "Nanostructured Soft Matter : recent developments and perspectives"" (Bad Honnef, Allemagne), 16-18 septembre 1998.

Fuchs A.H. The stick-slip phase transition in confined solidlike films from an equilibrium perspective "5th Liblice Conference on Statistical Physics of liquids" (Zelezna Ruda, République Tchèque), 8 juin 1998.

Fuchs A.H. Molecular simulation of the adsorptive separation of xylene isomers in faujasite zeolites "6th International Conference on Fundamental of Adsorption" (Giens), 28 Mai 1998.

Rousseau B. Thermal diffusion : A comparison between molecular dynamics simulations using a simple and a realistic model "Third International Meeting on Thermal diffusion - RIT3" (Mons), septembre 1998.

Szwarc H. La pérdida de la certidumbre en la ciencia "Ciencia y Conciencia. Realidad del Problema de las dos Culturas" (Fundación Complutense de l'Université Complutense, El Escorial, Espagne), août 1998.

Alba-Simionesco C. Neutron scattering from glassforming liquids under high pressure " XXVII International Meeting on “Dynamical properties of Solids”" (Tours), septembre 1999.

Alba-Simionesco C. Quasielastic neutron scattering of molecular liquids and glasses under high pressure "2nd European Conference on “Neutron Scattering”" (Budapest, Hongrie), septembre 1999.

Alba-Simionesco C. Temperature and density dependences on the relaxational properties of glassforming liquids by inelastic neutron scattering experiments "Journées Verres-Physics of Glasses" (Montpellier), novembre 1999.

Fuchs A., Adsorption and transport of molecules in zeolites : how much should we worry about the accuracy of the adsorbent-adsorbate potential ?, in “Workshop CECAM "Diffusion of host molecules in zeolites"” (ENS Lyon), 4-8 octobre 1999.

Fuchs A.H. Molecular simulation as a tool for predicting thermophysical properties of molecular fluids "JETC 6 (Journées Européennes de Thermodynamique Contemporaine)" (Carry le Rouet), 13-15 septembre 1999.

Fuchs A.H. Do we need to worry about the accuracy of the zeolite-adsorbate potential function in molecular simulations of adsorption and diffusion processes? "Workshop du CECAM, “Adsorption and transport in zeolites”" (ENS Lyon), 4-8 octobre 1999.

39

Ungerer P., Molecular Simulations, in “17th European Seminar on Applied Thermodynamics” (Vilamoura, Portugal), 13-16 juin 1999.

Alba-Simionesco C. Quantitative tests on experimental data of several theoretical approaches of the glass transition in supercooled liquids "Workshop II on"Supercooled liquids and Glass tansition"" (Roskilde, Danemark), mai 2000.

Alba-Simionesco C. High pressure experiments on polymers and molecular liquids by neutron scattering "Workshop on : Future perspectives for understanding the unsolved problem of the glass-transition by neutron scattering and computer simulation" (San Sebastian, Espagne), juin 2000.

Frick B. & Alba-Simionesco C. "Future perspectives for understanding the unsolved problem of the glass transition" (San Sebastian, Espagne), juin 2000.

Fuchs A. Adsorption and diffusion of host molecules in zeolites as studied by classical molecular simulation "CAT 2000" (La Colle-sur-Loup), mai 2000.

Fuchs A., Monte Carlo simulations of nanoconfined alkane films - Physical chemistry in confining geometries, from single molecules to mesoscopic systems, in “International discussion meeting - Bunsen-Geselschaft fur Physikalische Chemie” (Berlin, Allemagne), 20-23 septembre 2000.

Fuchs A.H. Properties of thin alcanes filters in confined geometries "Int. Meeting Physical Chemistry in confining geometries" (Berlin), 20-22 septembre 2000.

Tölle A., Alba-Simionesco C., Morineau D., Coddens G. & Farago B., Neutron Scattering Studies of the Glass Transition in Toluene and m-Toluidine, in “QENS 2000” (Edimbourg, U.K.), août 2000.

Alba-Simionesco C., Chauty A. & Frick B. Relaxation processes of polymer melts under pressure "4th IDMRCS, Hersonissos" (Crête, Grèce), juin 2001.

Alba-Simionesco C., Morineau D., Frick B. & Bellissent-Funel M.-C. Structure and Dynamics of glassforming liquids under pressure "ILL millenium symposium" (Grenoble, France), avril 2001.

Alba-Simionesco C., Morineau D., Teboul V. & Tölle A. Local order and Dynamics of glassforming molecular liquids "DYPROSO" (Kerkrade, Hollande), septembre 2001.

Fuchs A.H., Adsorption of water and aromatics in faujasite zeolites by Monte Carlo simulations, in “Fundamental Of Adsorption 7 (FOA7)” (Nagasaki, Japon), 20-25 mai 2001.

Fuchs A.H., Effect of surface roughness on the structure of confined fluid films, in “SIMU/ESF International Conference "Bridging the time scale gap"” (Konstanz, Allemagne), 10-13 septembre 2001.

40

Fuchs A.H., Molecular simulation of adsorption of guest molecules in zeolitic materials, in “Int. Symposium on the Statistical Mechanics of Adsorption” (Imperial College, Londres, U.K.), 3 octobre 2001.

Teboul V. & Alba-Simionesco C. Dynamics in two confined supercooled molecular liquids : results from coherent neutron scattering and molecular dynamics simulations "8th International Workshop on Disordered Systems" (Andalo, Italie), mars 2001.

Alba-Simionesco, C. (2002) Neutrons for Scandinavian Science and Technology, Structure and Dynamics of glassforming liquids at the atomic and mesoscopic level. Lund, Suède, mai.

Alba-Simionesco, C. (2002) Spectroscopic investigation of the collective dynamics in disordered systems, Experimental Thermodynamics of glassforming Liquids, Abdus Salam ICTP. Trieste, Italie, juin.

Alba-Simionesco, C., Dosseh, G., D.Morineau, V.Teboul & Xia, Y. (2002) Influence of confinement on the slowing down of relaxations and the glass transition of molecular liquids in mesoporous materials, Slow dynamics and the glass transition. Bangalore, Inde, 6-9 janvier.

Boutin, A. (2002) Adsorption of water and aromatics in faujasite zeolites. A molecular simulation study, Workshop UCSB-CNRS "Self assembly in materials science". Paris, 23-24 avril.

Fuchs, A. (2002) Adsorption of water in faujasites. A molecular simulation studies, Characterization of Porous Solids (COPS VI). Alicante, Espagne, mai.

Fuchs, A. (2002) Molecular simulation techniques as tools for studying thermodynamic and transport properties of complex systems, Fundamental and New Perspectives in Thermodynamics. Udine, Italie, février.

Rousseau, B. (2002) Thermal diffusion in binary fluid mixtures : what can we learn from molecular simulations ? (conférencier invité), 6th Liblice Conference on the Statistical Mechanics of Liquids. Spindleruv Mlyn, Krkonose National Park, Czech Republic, 9-14 juin.

Ungerer, P. (2002) Applications of molecular simulation to process development and materials design, 19th European Seminar on Applied Thermodynamics. Santorin, Grèce, 6-10 septembre.

Ungerer, P. (2002) Determination of thermodynamic properties from molecular simulation, 15th International Congress of Chemical and Process Engineering (CHISA). Prague, 25-29 août.

Ungerer, P. (2002) Force field development and validation, AIChE fall meeting. Indianapolis, USA, 3-8 novembre.

41

Ungerer, P. (2002) Present status of Anisotropic United Atoms potentials, 6th Liblice Conference on the statistical mechanics of liquids. Spinlerup Mlyn, République tchèque, juin.


Belloni J. Metal clusters (Maria Sklodowska-Curie Medal Award) "Ann. Meeting Polish Soc. Radioactive Res." (Siedlce, Pologne), avril 1998.

Belloni J. Project ELYSE of picosecond pulse radiolysis in Orsay "Workshop Res. Needs Opport. Rad. Chem., DOE" (Chesterton, In., USA), avril 1998.

Belloni J. The scientific personnality of Marie Sklodowska-Curie "100 Years after the Discovery of Po and Ra" (Varsovie, Pologne), février 1998.

Belloni J., Liu Y.-P., Zhang H.-G., Mostafavi M. & Rémita H. Radiation-induced metal and ionic cluster chemistry : recent developments "Atelier franco-chinois, Université Paris-Sud, USTC" (Hefeï, Chine), septembre 1998.

Belloni J., Rémita H., Marignier J.-L. & Mostafavi M. Radiation-induced synthesis and applications of mono- and bi-metallic nanocolloids or supported clusters "Indo-French Work. Radiat. and Photochem." (Pune, Inde), janvier 1998.

Belloni J., Tréguer M., Rémita H. & Keyzer R. De. Effective quantum yield : new approach of enhancement of the electron-hole pair escape "“Proc. ICPS”" (Antwerpen, Belgique), septembre 1998.

Marignier J.-L. Photopolymérisation de l'asphalte. Applications aux procédés photomécaniques après 1850 "Actes du Colloque International Nicéphore Nièpce, une nouvelle image" (Chalon/Saône), janvier 1998.

Marignier J.-L., Lin M.Z. & Dokutchaev A.D. Synthesis and studies of metal nanoaggregates produced by radiolysis in solution and in microheterogeneous systems "Atelier franco-chinois Université Paris-Sud / USTC" (Hefeï, Chine), septembre 1998.

Mostafavi M. Dose rate effect on the size and the structure of metal and semi-conductor clusters "Gordon Conference on Radiation Chemistry" (Newport, RI, USA), juillet 1998.

Belloni J. Thermodynamics of metal atoms and clusters in solution. Nuclearity effects and applications "195th Meeting Electrochem. Soc." (Seattle, USA), mai 1999.

Belloni J., Gaillard M., Bourdon J.-C., Monard H., Mostafavi M. & Marignier J.-L., New picosecond electron accelerator ELYSE at Orsay Paris-Sud University, in “Miller Conference” (Doorwerth, Pays-Bas), mai 1999.

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Belloni J., Rémita H., Marignier J.-L., Delcourt M.O. & Mostafavi M. Radiation-induced synthesis of metal clusters in solutions. Nuclearity effects and aplications "Proc. 11th Int. Congress of Radiat. Research" (Dublin, Irlande), juillet 1999.

Belloni J., Tréguer M., Keyzer R. De & Rémita H. Mechanism of silver cluster formation in the photographic latent image : enhancement of electron-hole pair escape from recombination. "Miller Conf." (Doorwerth, Pays-Bas), mai 1999.

Dokutchaev A. & Marignier J.-L., Pulse Radiolysis Study of the Kinetics of Formation of Silver Aggregates in AOT Reverse Micelles, in “Miller Conference” (Doorwerth, Pays-Bas), mai 1999.

Rémita H., Tréguer M., Khatouri J. & Belloni J. Redox kinetics of carbonyl platinum clusters studied by pulse radiolysis "Miller conference" (Doorwerth, Pays-Bas), mai 1999.

Tréguer M., Rémita H., Khatouri J. & Belloni J., Redox kinetics of carbonyl platinum clusters studied by pulse radiolysis, in “Proc. 11th Int. Congress of Radiat. Research” (Dublin, Irlande),1999.

Amouyal E. & Lainé P., Polypyridine complexes of ruthenium(II) and osmium(II) with new electron acceptor ligands of triarylpyridinium type, in “Thirteenth International Conference on Photochemical Conversion and Storage of Solar Energy” (Snowmass, USA), juillet-août 2000.

Belloni J., Discussion leader of "Metal and semiconductor" session, in “Puls'2000 Radiation Chemistry” (Leba, Pologne), 9-14 septembre 2000.

Belloni J., Gaillard M., Marignier J.-L., Mostafavi M., Monard H. & Bourdon J.-C., A new laser photocathode RF electron gun in Orsay, in “Workshop on Pulse Electron Accelerators” (Osaka, Japon), 8-12 mars 2000.

Belloni J., Gaillard M. , Monard H., Lampre I., Mostafavi M., Marignier J.L., Gravey T. & Bourdon J.C., ELYSE : a new picosecond pulse radiolysis facility for physical chemistry at Orsay, in “Satellite Meeting on Pulse Radiolysis Facilities” (Tokaï-Mura, Japon), mars 2000.

Belloni J., Tréguer M., Rémita H. & de Keyzer R. Enhanced yield of photoinduced electrons in doped silver-halide crystals "International Symposium “Prospect for Application of Radiation toward the 21st Century”" (Waseda University, Tokyo, Japon), 13-17 mars 2000.

Belloni J., Tréguer M., Rémita H. & de Keyzer R, Enhancement of the electron-hole pair escape in AgX crystals, in “Trombay Symposium on Radiation and Photochemistry” (Trombay, Inde), janvier 2000.

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Belloni J., Tréguer M., Rémita H. & de Keyzer R., Enhanced quantum yield in doped silver-bromide crystals, in “Int. Symp. Small Particles and Inorg. Clusters” (Atlanta, USA), 11-15 octobre 2000.

Belloni J., Tréguer M., Rémita H. & de Keyzer R., Enhancement of the electron-hole pair escape in AgX crystals, in “Gordon Conference on Radiation Chemistry” (Plymouth, USA), 25-30 juin 2000.

El Hanine C., Conte D., Jacquot J.-P. & Houée-Levin C., One-electron redox properties of thioredoxin, in “5th international conference on thioredoxins and related proteins” (Smolenice, Slovaquie), 19-22 septembre 2000.

Grzesiak S. & Marignier J.L. Réactivité des agrégats d'argent formés dans des cristallites de AgCl en suspension dans l'eau "Journées d'Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.

Houée-Levin C. Oxydation des résidus tyrosine dans le lysozyme et dans la thioredoxine "Journées d'Etude de la Chimie sous Rayonnement (JECR)" (Belgique), mai 2000.

Houée-Levin C., One-electron redox processes in proteins : aqueous solution and solid phase, in “Gordon Conference on Radiation Chemistry”, juin 2000.

Lampre I. & Mostafavi M. Reduction of AgCl4- "Trombay Symposium on Radiation

and Photochemistry" (Trombay, Inde), janvier 2000.

Lampre I., Pernot P. & Mostafavi M. Propriétés spectrales et potentiels redox de complexes chlorés d'argent en solution aqueuse "Journées d'Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.

Marignier J.L. L'accélérateur du Projet ELYSE "Journées d'Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.

Mostafavi M. Reduction of AgCl4- "Electron transfer" (Tsukuba, Japon), mars 2000.

Mostafavi M., Optical limitation of gold clusters, in “PhotoChemistry PhotoMaterials 2000” (Tsukuba, Japon), mars 2000.

Mostafavi M. Clusters Métalliques et semiconducteurs induits par radiolyse "Journées Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.

Mostafavi M., Semiconductor and metal clusters induced by irradiation. Application to optical limitation, in “Puls'2000 Radiation Chemistry” (Leba, Pologne), 9-14 septembre 2000.

Mostafavi M. & Renou F., Reactivity of solvated electron toward the divalent magnesium in water and organic solutions, in “Puls'2000 Radiation Chemistry” (Leba, Pologne), 9-14 septembre 2000.

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Pommeret S., Gobert F., Haidar R., Buguet S., Vigneron G., Mialocq J.C., Mostafavi M., Lampre I. & Pernot P., Interaction of terawatt laser pulses with neat water, in “Puls'2000 Radiation Chemistry” (Leba, Pologne), 9-14 septembre 2000.

Pommeret S., Gobert F., Mostafavi M., Lampre I. & Mialocq J.C., Femtochemistry of hydrated electron at decimolar concentration, in “Int Conf. Real Time Probing of Elementary Chemical Processes in Liquids” (GDR Paris), octobre 2000.

Pommeret S., Gobert F., Mostafavi M., Lampre I. & Mialocq J.C., Femtochemistry of hydrated electron at decimolar concentration, in “ESF Ultra Programme” (Coïmbra, Portugal), octobre 2000.

Rémita H. Catalyseurs préparés par voie radiolytique "Journées d'Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.

Renou F. & Mostafavi M. Reduction de MgII en solutions aqueuse et organique "Journées d'Etude de Chimie sous Rayonnements" (Houffalize, Belgique), mai 2000.

Belloni J., Enhancement of the quantum yield in the photographic latent image formation, in “Symposium on Recent Trends in Photochemical Sciences” (Trivandrum, India), janvier 2001.

Belloni J. Miller Conference on Radiation Chemistry (Windermere, U.K.), avril 2001.

Belloni J. French-Japanese Workshop on Nanomaterials (Paris, France), octobre 2001.

Mostafavi M. Semiconductor and metal clusters induced by irradiation "22nd Miller Conference on radiation chemistry" (Cumbria, U.K), avril 2001.

Amouyal, E. (2002) Photoinduced electron transfer in new polyad systems based on ruthenium(II) and osmium(II) terpyridine complexes (Invitation), Fourteenth International Conference on Photochemical Conversion and Storage of Solar Energy. Sapporo (Japon), août.

Belloni, J. (2002) Contribution of Radiation Chemistry to cluster science and applications, (Invitation), Voevodsky Symposium. Novosibirsk, july.

Belloni, J. (2002) Contribution of Radiation Chemistry to Cluster Science and Applications, (Invitation), International Symposium on Scientific and Industrial Nanotechnology 2002 (ISSIN-2002). Osaka, Japon, 12-14 dec.

Belloni, J. (2002) Enhanced yield of photo-induced electrons in doped silver-halide crystals. Photographic applications, (Invitation), 10th Tihany Conference. Sopron, Hongrie, septembre.

45

Belloni, J. (2002) Gordon Conference on Radiation Chemistry (Vice-Prés.). Waterville, USA, Juin.

Belloni, J. (2002) Int. Conf. Imaging Science (Invitation). Tokyo, Japon, mai.

Belloni, J. (2002) Les Journées d'Etude de Chimie sous Rayonnement, bilan et perspectives, (Vice-Prés.), JECR. Kenitra, Maroc, mai.

Marignier, J.L. (2002) L'accélérateur picoseconde ELYSE à Orsay, JECR. Kenitra, Maroc, mai.

Marignier, J.L. (2002) The photographic process invented by Niepce, (Invitation), International Meeting on the World First Photograph, Getty Institute of Conservation. Los Angeles, USA, juin.

Mostafavi, M. (2002) Radiolyse pulsée des ions d'argent à haute température, JECR. Kenitra, Maroc, mai.

Rémita, H. (2002) Clusters moléculaires de platine : synthèse radiolytique et étude des propriétés redox, JECR. Kenitra, Maroc, mai.

Rémita, H. (2002) Platinum carbonyl clusters : redox kinetics and applications, Workshop on Radiation and Photochemistry. University of Pune, India, janvier.

Rémita, H., Tréguer, M., Pernot, P. & Belloni, J. (2002) Redox properties of platinum carbonyl clusters studied by radiolysis and applications, Pune Workshop on Radiolysis (Invitation). Pune, Inde, janvier.

Rémita, H., Tréguer, M., Pernot, P. & Belloni, J. (2002) Redox properties of platinum carbonyl clusters studied by radiolysis and applications, Third Asian Photochemistry Conference (Invitation). Bombay, Inde, janvier.

Renou, F. (2002) Etude de la réactivité entre électron solvaté et les perchlorates d'alcalino-terreux (Mg, Ca, Sr) dans le THF. Formation de paires (e-, MII), JECR. Kenitra, Maroc, mai.

Renou, F. & Mostafavi, M. (2002) Reactivity of solvated electrons towards earth-alkaline metal cations, (Invitation), Gordon Conference on Radiation Chemistry. Waterville, USA, juin.

Schmidhammer, U., De Waele, V. & Riedle, E. (2002) Wavepacket dynamics and ultrafast reactive processes of dihydroazulene photochromic compounds, XXVI European Congress on Molecular Spectroscopy. Villeneuve d'Ascq, France, septembre.


46

Blasco S., Y.Jean, Demachy I. & Lledos A. Theoretical study of the coordination modes of Cp2Fe2S4 bimetallic complexes "à l'invitation du CESCA" (Université Autonome de Barcelone), juillet 2000.

Hiberty P.C., Description théorique de la liaison à trois électrons. Analyse critique des méthodes les plus courantes, in “26ème Congresso Internacional dos Quimicos Teoricos de Expressao Latina (QUITEL)” (Caxambu, Brésil), septembre 2000.

Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. A harmonic Adiabatic Approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules" "PRAHA2000 (The 16th International Conference on High Resolution Molecular Spectroscopy)" (Prague, République Tchèque), du 03/09 au 07/09 2000.

Blasco S., Demachy I., Jean Y. & Lledos A. Phosphine exchange in a quadruply bonded metal dimer "21ème congrès des chimistes d'expression latine CHITEL" (Toulouse), septembre 2001.

Braïda B. Effets du substituant méthyle dans les liaisons à trois électrons "21ème congrès des chimistes d'expression latine CHITEL" (Toulouse), septembre 2001.

Jean Y., Structure of quadruply bonded tansition metal dimers of the Mo2Cl4(P-P)2 type and theoretical proposals for ligands exchange mechanisms, in “International symposium : Electronic Structure and Chemical Reactivity” (Barcelone, Espagne), septembre 2001.

Demachy, I. (2002) Phosphine exchange mechanisms in quadruply bonded complexes Mo2Cl4(R2P-CH2-CH2-PR2)2', Concoord-Gecom 2002. Paris, 13 au 17 mai.

Hiberty, P.C. (2002) 12th European Seminar on Computational Methods in Quantum Chemistry. Utrecht, 18-22 septembre.

Nauts, A. & Lauvergnat, D. (2002) Exact numerical computation of a kinetic energy operator in curvilinear coordinates, with applications to "ab initio" spectroscopy and dimensionality reduction, 17th International Conference on High Resolution Molecular Spectroscopy. Prague, République Tchèque, 1-5 septembre.

IV. CONFERENCES NATIONALES INVITEES


Boissel P. Etude expérimentale de cascades de photodissociation conduisant à la destruction totale des cations PAH Colloque Général du Programme National de Physique et Chimie du Milieu Interstellaire (Toulouse, France), septembre 1998.

Thissen R., Audier H., Mourgues P. & Chamot-Rooke J. Réexamen de la structure des ions fragments C3H6

+° du 1,4-Dioxane ionisé "Journées Francaises de Spectrométrie de masse", 8-10 septembre 1998.

47

Mestdagh H., Heninger M. & Le Caër S. Etude expérimentale de l'influence des ligands sur la réactivité de complexes cationiques du fer en phase gazeuse "7ème Rencontre des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre 2000.

Alcaraz, C., Nicolas, C., Thissen, R., Zabka, J., Dutuit, O., Witasse, O., Lilensten, J. & Blelly, P.-L. (2002) Effet de l'excitation des ions sur la chimie des ionosphères planétaires : Mars et Titan, XIXème journées française de spectrométrie de masse. Chaville, France, 17-20 septembre.

Maître, P. (2002) Caractérisation de l'activation du méthane par un métal de transition : chimie quantique et expériences en phase gazeuse, 8ème réunion des chimistes théoriciens français. Strasbourg, France, 20-25 septembre.

Thissen, R., Zabka, J., Roithova, J., Franceschi, P., Alcaraz, C., Dutuit, O., Herman, Z., Bassi, D., Witasse, O., Lilensten, J. & Blelly, P.-L. (2002) Mesures des constantes de vitesse absolue pour les réactions entre le dication moléculaire CO2

++ et les constituants neutres de l'atmosphère martienne, Colloque du Programme National de Planétologie. Nantes, 10-12 septembre.

Thissen, R., Zabka, J., Roithova, J., Franceschi, P., Lecas, S., Alcaraz, C., Dutuit, O., Herman, Z., Bassi, D., Witasse, O., Lilensten, J. & Blelly, P.-L. (2002) Réactions entre le dication moléculaire CO2

++ et les constituants neutres de l'atmosphère martienne, XIXème journées française de spectrométrie de masse. Chaville, France, 17-20 septembre.


Fuchs A.H. Transitions de phase dans des films ultraminces confinés "Journées Ordre-Désordre" (Orsay), 30 mars 1998.

Fuchs A.H. La simulation moléculaire comme outil pour la caractérisation et la prédiction de propriétés physico-chimiques des matériaux poreux "Congrès du Groupe Français des Zéolithes (GFZ)" (Carry le Rouet), 2-25 mars 1999.

Morineau D. Structural properties of confined glass-forming liquids in mesoporous MCM-41 "Journées du GDR "Cristaux liquides en géométrie confinée"" (Garchy), 2-5 novembre 1999.

Fuchs A.H. Modélisation et simulation du comportement de fluides moléculaires confinés "7ème Réunion des Chimistes Théoriciens Francophones" (Gruissan), 10-13 octobre 2000.

Ungerer P., Possibilités de la simulation moléculaire pour les calculs d'équilibres de phase, in “XXVIèmes Journées d'étude des équilibres entre phases” (Marseille), 23-24 mars 2000.

48

Alba-Simionesco C., Dosseh G., Morineau D., Teboul V. & Xia Y. Propriétés structurales et dynamiques du Toluène confiné dans des matrices mésoporeuses "JDN 10" (Tregastel, France), 2001.

Hadjkali, M., Joulia, V., Gerbaud, V., Boutin, A., Ungerer, P., Mijoules, C. & Roques, J. (2002) Application de la simulation moléculaire dans l'ensemble de Gibbs pour la prédiction de l'équilibre liquide-vapeur de l'acétonitrile dans le but de déterminer des paramètres énergétiques génériques pour le groupement nitrile au sein du modèle AUA, SIMMO 2002. Toulouse, France, 24-25 octobre.

Transfert d’Electrons en Milieu Condensé (TEMiC)

Belloni J. Résultats récents sur les clusters métalliques "“JECR 98”" (Bonascre), juin 1998.

Belloni J. La personnalité scientifique de Marie Sklodowska-Curie "Centenaire de la Découverte de la Radioactivité" (Université Pierre et Marie Curie (Paris), avril 1998.

Audette M., Blouquit Y. & Houée-Levin C. Processus initiés par oxydation de résidus tryptophane dans les protéines "Colloque “le transfert d’électron dans les systèmes biologiques”" (Paris), novembre 1999.

Amouyal E. Photophysique de composés de coordination et de systèmes moléculaires de type polyade. Photonique moléculaire "Réunion d'automne du Groupe de Photochimie Français" (Cachan), novembre 2000.

Belloni J. La Photographie, Développements récents "Congrès d'Astronomie" (Cité des Sciences, La Villette), avril 2000.

Belloni J. La Photographie, Développements récents "Ecole d'Eté du GDR Agrégats" (Les Houches), juillet 2000.

Belloni J. GDR Acte chimique élémentaire (Pont-à-Mousson), décembre 2001.

Krolicki R., Jarzeba W., Lampre I. & Mostafavi M. Solvatation de la coumarine 153 dans des mélanges de toluène/acétonitrile et toluène/méthanol "GDR 1017 Pico- et Femtochimie en Phase Liquide" (Pont à Mousson, France), 3-5 décembre 2001.

Renou F. & Mostafavi M. Réactivité entre l'électron solvaté et les alcalino-terreux dans le tétrahydrofuranne "GDR 1017 Pico- et Femtochimie en Phase Liquide 2001" (Pont à Mousson, France), 3-5 décembre 2001.

Amouyal, E. (2002) Photochimie supramoléculaire et complexes de coordination, Sixième Colloque sur les Sources Cohérentes et Incohérentes UV, VUV et X : Applications et Développements Récents (conférence invitée). Ile d'Oléron, juin.

Amouyal, E. & Lainé, P. (2002) Transfert d'électron photoinduit dans des polyades à base de complexes terpyridiniques de ruthénium (II) et d'osmium (II), Groupe Français de Photochimie, Jubilé de Henri Bouas-Laurent. Bordeaux, mai.

49

De Waele, V., Schmidhammer, U. & Riedle, E. (2002) Dynamique de paquets d'onde et mécanismes réactionnels ultra-rapide de composés photochromes, Pico- et femtochimie en phase liquide, GDR 1017. Pont-à-Mousson, décembre.

Marignier, J.L. (2002) Introduction à la Chimie sous rayonnement., INSTN, (conférence invitée), Colloque sur la gestion à long terme des déchets nucléaires. CEA - Saclay, mars.

Marignier, J.L. (2002) L'accélérateur d'électrons picoseconde ELYSE à Orsay (conférence invitée), Sixième Colloque sur les Sources Cohérentes et Incohérentes UVX 2002. Ile d'Oléron, juin.

Marignier, J.L. (2002) L'accélérateur d'électrons picoseconde ELYSE à Orsay. Pico- et femtochimie en phase liquide, GDR 1017. Pont-à-Mousson, décembre.

Mostafavi, M. (2002) Effet de la présence d'un cation métallique sur les propriétés d'absorption optique de l'électron solvaté, Pico- et femtochimie en phase liquide, GDR 1017. Pont-à-Mousson, décembre.


Hiberty P.C. Traitement théorique des liaisons à trois électrons "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

Jean Y. Echange de phosphines dans les dimères métalliques : une alternative au mécanisme de flip "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

Nauts A. Description quantique de systèmes moléculaires adiabatiquement contraints "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

Hiberty P.C. Traitement théorique des liaisons à trois électrons (Institut de Physicochimie Moléculaire, Bordeaux), juin 1999.

Jean Y. Etude théorique de la structure des complexes quadruplement liés Mo2Cl4(H2P(CH2)nPH2) "Journées de la SFC (Division Chimie de Coordination)" (Paris), décembre 1999.

Volatron F. Relation entre géométrie et décompte électronique dans les complexes organométalliques "CONCOORD-GECOM99" (Landernau), mai 1999.

Jean Y. Structure et réactivité de complexes bimétalliques quadruplement liés "Institut de Recherches sur la Catalyse de Lyon" (Lyon), mars 2000.

Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. Niveaux vibrationnellement très excités de molécules "molles". Approximation Adiabatique Harmonique (HADA)

50

"7RCTF (7ème Rencontre des Chimistes Théoriciens Francophones)", du 09/10 au 13/10 2000.

Pernot P. Analyse des matrices spectrocinétiques "7ème Rencontre des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre 2000.

Jean Y. Application de la théorie des orbitales Moléculaires à des problèmes de structure et de réactivité dans les complexes des métaux de transition "7èmes Journées X-ESPCI-UPS" (Ecole Polytechnique, Palaiseau), mai 2001.

Desouter-Lecomte, M. (2002) Dynamique quantique en dimension réduite, 8RCTF. Strasbourg.

Hiberty, P.C. (2002) Première Rencontre Nationale de Chimie Théorique. Fès, Maroc, 18 -20 mars.

Jean, Y. (2002) Apports de la Chimie Quantique à l'étude des complexes des métaux de transition, Journée de l'Ecole Doctorale de Chimie de Nancy. Nancy, mai.

Jean, Y. (2002) Etude DFT de la structure et de la réactivité de complexes bimétalliques. Université de Nancy, mai.

51

V . COMMUNICATIONS ORALES DIVERSES (POSTERS, etc)


Boissel P. Experimental studies on dehydrogenated PAH cations : Ecole des Houches "Solid Interstellar Matter - The ISO Revolution", 2-6 février 1998.

Delcominette E., Mestdagh H., Rolando C. & Sablier M. Réactions en phase gazeuse du complexe Fe(CH3OH)+ avec H2O "15èmes Journées Françaises de Spectrométrie de Masse" (Lyon), 8-10 septembre 1998.

Dutuit O., Alcaraz C., Palm H. & Thissen R., State-selected ion-molecule reactions studied with synchrotron radiation, in “Symposium on Atomic and Surface Physics and Related Topics (SASP 98)” (Going, Tirol, Autriche), pp. 3-7 à 3-9, (Progress report) 25-30 janvier 1998.

Lilensten J., Toublanc D., L.Blelly P., Galand M., Maurice S., Dutuit O., Alcaraz C. & Thissen R. Modélisation cinétique et fluide de l'ionosphère de Titan : état de l'art et perspectives "2ème Colloque National de Planétologie de l'INSU" (Grenoble), 14-17 septembre 1998.

Pech C., Joblin C. & Boissel P. Modélisation du spectre infrarouge des PAHs interstellaires, Colloque Général du Programme National de Physique et Chimie du Milieu Interstellaire (Toulouse), septembre 1998.

Thissen R., Alcaraz C., Bushnell J., Nicolas C., Névejans H. & Dutuit O. Rôle de l'énergie électronique et vibrationnelle des ions dans la photochimie deTitan "2ème Colloque National de Planétologie de l'INSU" (Grenoble), 14-17 septembre 1998.

Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O. Photoionisation, Photofragmentation de stéréoisomères "Journées Francaise de Spectrométrie de masse" (Lyon), 8-10 septembre 1998.

Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O. Photoionisation-photodissociation d'ions stéréoisomères "15èmes Journées Françaises de Spectrométrie de Masse" (Lyon), 8-10 septembre 1998.

Thissen R., Audier H.E., Mourgues P., Alcaraz C. & Dutuit O. Réexamen de la structure des ions fragments C3H6O.+ du 1,4- dioxane ionisé (poster) "15èmes Journées Françaises de Spectrométrie de Masse" (Lyon), 8-10 septembre 1998.

Thissen R., Bushnell J., Alcaraz C. & Dutuit O. Role of reactant internal energy in bimolecular reactions. Applications to the ion-molecule chemistry of Titan's ionosphere (poster) "The Jovian System after Galileo. The Saturnian System before Cassini-Huygens" (Nantes), 11-15 mai 1998.

52

Thissen R. & Nahon L. SU5, une ligne VUV basse énergie, haute résolution, haut flux à polarisation variable "Journée Rayonnement Synchrotron du DRECAM" (CEA Saclay), 18 mars 1998.

Alcaraz C., Thissen R., Bushnell J. & Dutuit O., Mass Analyzed Threshold Ionization with synchrotron radiation (poster), in “European Research Conference : Highly excited electronic states and collisional processes” (San-Feliu de Guixols, Espagne), 23-28 octobre 1999.

Alcaraz C., Thissen R., Bushnell J., Hairabédian C., Dutuit O. & Nahon L., Détermination expérimentale de données utiles pour la photochimie des ionosphères (poster), in “Ecole Thématique du C.N.R.S. : L'environnement de la Terre primitive et l'origine de la vie” (Propriano), 3-10 octobre 1999.

Boissel P. De la relaxation en matrice aux molécules interstellaires "Journées N. et F. Legay" (P.P.P., Orsay), 10 décembre 1999.

Heninger M., Pernot P., Mestdagh H., Boissel P., Lemaire J., Marx R. & Mauclaire G. Influence de la distribution d'énergie interne des ions Fe(CO)n

+ sur leur réactivité avec O2 "ERIG99" (Gif-sur-Yvette), 15-17 novembre 1999.


Fourier transform ion cyclotron resonance ion trap : an experimental determination of the radiative cooling rate through its competition with C2 evaporation "Atelier pluridisciplinaire franco-chinois" (Hefeï, Chine), 1999.

Lemaire J., Heninger M., Marx R., Mauclaire G., Boissel P. & Mestdagh H. Relaxation radiative de l'énergie interne d'ions C60

+ étudiée dans un piège FTICR "ERIG99" (Gif-sur-Yvette), 15-17 novembre 1999.

Mauclaire G., Lemaire J., Heninger M. & Marx R. Excitation of C60+ by electrons in a

FTICR ion trap : an experimental determination of the radiative cooling rate through its competition with C2 evaporation" 5th European Fourier Transform Mass Spectrometry Workshop" (University of Warwick, Coventry, UK), 16-18 septembre 1999.

Pech C., Joblin C. & Boissel P. Modeling of Interstellar PAHs Infrared Emission : emitted Intensities and band profiles "IAU Symposium 197 : "Astrochemistry : from Molecular Clouds to Planetary Systems"" (Korea), août 1999.

Thissen R., The use of few-bunch mode at LURE How, who and outcomes ; Presentation of the various types of experiments, in “Bessy Users Meeting”, 9-10 décembre 1999.

Thissen R., Alcaraz C., Bushnell J., Nicolas C. & Dutuit O. Effects of vibrational and electronic excitation of ions on the photochemistry of Titan ionosphere (poster) "European Geophysical Society, XXIV General Assembly" (The Hague, Pays-Bas), 19-23 avril 1999.

53

Thissen R., Alcaraz C., Dutuit O., Mourgues Ph. & Audier H.E., Réaction entre les cations d'acétylène et l'éthane dans une approche uni- et bi-moléculaire, in “ERIG99 (Energétique et Réactivité des Ions en Phase Gazeuse)” (Gif sur Yvette), 15-17 novembre 1999.

Thissen R., Alcaraz C., Dutuit O., Serani L. & Laprévote O. Photoionization and photodissociation of stereoisomers (poster) "Gordon Conference : Structure, Energetics and Reaction Dynamics of Gaseous Ions" (Ventura, USA), 28 février-5 mars 1999.

Alcaraz C., Thissen R. & Dutuit O., MATI and synchrotron radiation : Ion-molecule reactions as a probe of state-selection (poster), in “IWP (International Workshop on Photoionisation)” (Carry le Rouet), 8-10 octobre 2000.

Alcaraz C., Thissen R., Nicolas C. & Dutuit O., Study of state-selected N2+ ions :

dissociation and reactivity with methane (poster), in “SASP 2000 (Symposium on Atomic and Surface Physics and related phenomena)” (Folgaria, Italie), 30 janvier-5 février 2000.

Fleurat-Lessard P., Ohanessian G., Alcaraz C., O. Dutuit & Vervloet M., Statistical analysis of the photodissociation of tungstene hexacarbonyl W(CO)6 complex (poster), in “DYNAM 2000” (Arcachon), 31 mai-3 juin 2000.

Pech C., Joblin C. & Boissel P. Etude des profils de bandes infrarouges non-identifiées à partir de porteurs de type PAHs "Colloque Général du Programme National de Physique et Chimie du Milieu Interstellaire" (Orsay), juillet 2000.

Pech C., Joblin C. & Boissel P. Photophysics of Interstellar PAHs+ in the PIRENEA Experiment "15th International Mass Spectrometry Conference" (Barcelone, Espagne), août 2000.

Simon A. & Maître P. Etude théorique de l'activation du Methane par W+ en phase gazeuse (poster) "GDR Agrégats" (Orsay), mai 2000.

Simon A. & Maître P., Activation of Methane by W+ in the Gas Phase : theoretical and experimental study (poster), in “ESQC 2000” (Riolo Terme, Italie), septembre 2000.

Simon A. & Maître P. A Valence Bond analysis of the 1-2 hydrogen shift in HCN and Isovalent compounds (poster) "ESQC 2000" (Riolo Terme, Italie), septembre 2000.

Thissen R., Dutuit O., Alcaraz C., Laprévote O. & Sérani L., Differentiation of alcaloid enantiomers by means of "soft" VUV synchrotron radiation photoionisation (poster), (Les Houches), 13-18 mai 2000.


54

Agafonov V., Dzyabchenko A.V., Davydov V., Allouchi H., Céolin R. & Szwarc H. Etude des empilements des phases polymères de C60 "Colloque de l'Association Française de Cristallographie (AFC98)" (Orléans), février 1998.

Barrio M., Michaud F., Lopez D.O., Alcobe X., Tamarit J.-L., Szwarc H. & Céolin R. Études cristallographiques des solvates C60, 2 CCl4 et C60, 2 HCCl3 en fonction de la température "XXIVèmes Journées d'Étude des Équilibres entre Phases" (Nancy), avril 1998.

Céolin R., Michaud F., Toscani S., Agafonov V., Tamarit J.-L, Dworkin A. & Szwarc H. Solvation and decagonal twinning of C60 crystals: structural and thermodynamic features "XXIVèmes Journées d'Étude des Équilibres entre Phases" (Nancy), avril 1998.

Davydov V. A., Agafonov V., Dzyabchenko A.V., Céolin R. & Szwarc H. Particularities of C60 transformations at 1.5 GPa "93rd Meeting of the American Electrochemical Society, Symposium of the Fullerene Group" (San Diego, USA), 1998.

Davydov V.A., Agafonov V.N., Allouchi H., Céolin R. & Szwarc H. Tetragonal polymerized phase of C60 "17th General Conference of the Condensed State Division" (Montpellier), août 1998.

Gardette M.F., Chilouet A., Toscani S., Rouland J.-C., Allouchi H., Agafonov V., Szwarc H. & Céolin R. Étude thermodynamique et structurale du système C60-soufre "XXIVèmes Journées d'Étude des Équilibres entre Phases" (Nancy), avril 1998.

Grell A.-S., Masin F., Messari I., Gusman G., Céolin R. & Szwarc H. NMR studies of different solvated C60 crystals : C60.4C6H6, C602S8, C60.2CCl4 "Société Belge de Physique" (Bruxelles), mai 1998.

Masin F., Grell A.-S., Gusman G., Céolin R. & Szwarc H. NMR spin-lattice relaxation of 13C in C60.2S8 "17th General Conference of the Condensed State Division" (Montpellier), août 1998.

Morineau D. & Alba-Simionesco C. Network versus clustering phenomena in H-bonded liquids (poster) "II Workshop on Non Equilibrium Phenomena in Supercooled Fluids, Glasses and Amorphous Materials" (Pise, Italie), 27 septembre-2 octobre 1998.

Morineau D., Alba-Simionesco C. & Bellisent-Funel M.C. Alternative à une structure sous forme de réseau de liaisons hydrogène dans des liquides associés "7èmes Journées de la diffusion neutronique" (Albé), 13-15 mai 1998.

Rousseau B. Prédiction quantitative des coefficients de transport par simulation numérique de la dynamique moléculaire (CERET), février 1998.

Rousseau B. Thermal diffusion : a comparison between molecular dynamics simulations using a simple and a realistic model "Third International Meeting on Thermal Diffusion" (Mons), septembre 1998.

55

Szwarc H. Effet de la pression et d’une force de cisaillement sur le fullerène C60 "Journée d’Etude, Réseau Haute Pression" (Villetaneuse), janvier 1998.

Boutin A. Simulation de phénomène de marche dans l'isotherme d'adsorption du méthane dans l'AlPO4-5, et simulation numérique de l'adsorption d'hydrocarbures chlorés dans les zéolithes, et simulation de l'adsorption et de la co-adsorption des isomères méta et para du xylène dans les faujasites "Réunion du groupe français des zéolithes" (Carry-le-Rouet), 22-24 mars 1999.

Brubach J.B., Colavita P., Filabozzi A., Roy P., Mermet A., Gerschel A., Sadtler V. & Krafft M.P. Water structure in fluorocarbon reverse micelles by synchrotron FIR spectroscopy "4th Liquid Matter Conference" (University of Granada, Espagne), juillet 1999.

Céolin R., Tamarit J. Ll., López D.O., Barrio M., Allouchi H., Agafonov V., Alcobe X. & Szwarc H. Phases hexagonales du fullerène C60 "XXVèmes Journées d'Étude des Équilibres entre Phases" (Annecy), mars 1999.

Davydov V. A., Agafonov V., Allouchi H., Céolin R. & Szwarc H. Synthesis and individual properties of pressure-polymerized C60 compounds" "94th Meeting of the American Electrochemical Society, Symposium of the Fullerene Group" (Seattle, USA), 1999.

Davydov V.A., Kashevarova L.S., Rakhmanina A.V., Senyavin V.M., Allouchi H., Agafonov V., Céolin R. & Szwarc H. Kinetic study of pressure-induced dimerization of fullerene C60 "International Workshop on Fullerenes and Atomic Clusters, IWFAC'99" (Saint-Petersbourg, Russie), 1999.

Grell A.S., Céolin R., Gardette M.-F., Szwarc H. & Masin F. Molecular dynamics study of C60.2S8 by 13C NMR "International Workshop on Fullerenes and Atomic Clusters, IWFAC'99" (Saint-Petersbourg, Russie), 4-8 octobre 1999.

Grell A.S., Masin F., Messari I., Gelbcke M., Tekely P., Céolin R. & Szwarc H. NMR study of C60.4C6H6 and C60.C7H8 by polarization inversion of rare-spin magnetization (poster) "XIIIth International Winterschool on Electronic Properties of Novel Materials" (Kirchberg, Autriche), février-mars 1999.

Grell A.S., Messari I., Céolin R., Gardette M.F., Szwarc H. & Masin F. C60.2S8 : 13C spin-lattice relaxation time and 13C NMR line shape studies in function of the temperature "Société Belge de Physique" (Bruxelles, Belgique), mai 1999.

Grell A.S., Messari I., Pirotte P., Tekely P., Céolin R., Szwarc H. & Masin F. NMR study of C60.C7H8 by cross polarization and polarization inversion of rare-spin magnetization "XIIIth International Winterschool on Electronic Properties of Novel Materials" (Kirchberg, Autriche), février-mars 1999.

56

Krakoviack V. & Alba-Simionesco C. Mode-coupling schematic approach to experimental data "CNRS Summer School "Physic of glasses"" (Cargese), mai 1999.

López D.O., Tamarit J. L., Céolin R., Allouchi H., Agafonov V. & Szwarc H. Caracterización cristalográfica de las fases hexagonales de C60 "VI Reunion Nacional de Materiales" (San Sebastian), 22-24 juin 1999.

Morineau D. Thermodynamics of liquids confined in MCM-41 "30èmes journées de Calorimétrie et d'Analyse Thermique" (Toulouse), mai 1999.

Morineau D. Structural properties of confined glass-forming liquids in mesoporous MCM-41 "Journées du GDR : Cristaux liquides en géométrie confinée" (Garchy), 2-5 novembre 1999.

Morineau D. Glass-forming liquids confined in mesoporous MCM-41 "Groupe de Physique, Prof. Fujara," (Université de Dortmund, Allemagne), 13-15 décembre 1999.

Morineau D., Dosseh G., Alba-Simionesco C., Llewellyn P. & Wu J. Glassforming liquids in confined geometry (MCM-41) (poster) "7th International Workshop on Disordered Systems" (Molveno-Andalo, Italie), 1-4 mars 1999.

Morineau D., Dosseh G., Alba-Simionesco C., Tarjus G., Demirjian B. & Kivelson D. Glacial phase in triphenylphosphite (poster) "7th International Worshop on Disordered systems" (Molveno-Andalo, Italie), 1-4 mars 1999.

Rousseau B., ‘Algorithmes et simulation numérique de la dynamique moléculaire’, (Institut Français du Pétrole, Rueil), 1999.

Rousseau B. Coefficients de transport et dynamique moléculaire (Laboratoire de Chimie Physique, Bordeaux), 11 février 1999.

Rousseau B. Molecular simulation of p-xylene and m-xylene adsorption in Y zeolites. Single components and binary mixtures study (American Institute of Chemical Engineers, Dallas, USA), novembre 1999.

Rousseau B. Thermal diffusion in pentane-decane mixtures. A comparison between experimental and molecular simulation (American Institute of Chemical Engineers, Dallas, USA), novembre 1999.

Ungerer P., Direct calculation of Bubble points by Monte Carlo Simulation, in “Thermodynamics 1999” (Imperial College, Londres), 14-16 avril 1999.

Alba-Simionesco C., Morineau D. & Dosseh G., Structure and thermodynamics of glassforming molecular liquids confined in MCM-41, in “International Discussion Meeting : Physical Chemistry in Confining Geometries : From Single Molecules to Mesoscopic Systems” (Berlin, Allemagne), 20-22 septembre 2000.

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Dosseh G., Morineau D. & Alba-Simionesco C., Dynamics of molecular liquids confined in mesoporous materials : a NMR study, in “International Workshop on Dynamics in Confinement” (Grenoble), 26-29 janvier 2000.

Floquet S., Boillot M.-L., Riviere E., Sour A. & Morineau D., Thermal spin crossover in two thiosemicarbazon ferric complexes : Characterization of a large thermal hysteresis around room temperature and effect of light irradiation on a photosensitive styril derivative, in “TOSS 2000” (Leiden, Pays-Bas), 5-7 mai 2000.

Floquet S., M.-L. Boillot, M. Gasnier & Morineau D. Transition de Spin dans des complexes ferriques de Thiosemicarbazones : Caractérisation d'une large hysteresis thermique centrée à 310K et de l'effet d'une irradiation lumineuse sur un dérivé photo-sensible "GECOM CONCOORD 2000" (Beaune), 14-19 mai 2000.

Mermet A. Infrared investigation of water encapsulated in non-ionic reverse micelles "Workshop on Dynamics in Confinement" (Institut Paul Langevin, Grenoble), janvier 2000.

Morineau D., Casas F., Alba-Simionesco C. & Bellissent-Funel M.-C., Structural properties of confined glass-forming liquids in mesoporous MCM-41, in “International Workshop on Dynamics in Confinement” (Grenoble), 26-29 Janvier 2000.

Rousseau B., Perronace A., Leroy F. & Wiegand S. Thermaldiffusion in pentane-decane mixtures. A comparison between MD simulations and TDFRS experiments "International Meeting on Thermaldiffusion 4" (Bayreuth), 11-15 septembre 2000.

Ungerer P. Unified prediction of the equilibrium properties of normal and branched alkanes by molecular simulation "14th International congress of chemical and process engineering" (Prague, République Tchèque), 27-31 août 2000.


Amouyal E., Penaud-Berruyer F., Ait-Haddou H. & Balavoine G. Spectroscopy and photophysics of two ruthenium(II) heteroleptic complexes of annelated derivatives of 2,2’-bipyridine "Twelfth International Conference on Photochemical Conversion and Storage of Solar Energy" (Berlin, Allemagne), août 1998.

Belloni J., Rémita H., Tréguer M. & Khatouri J. Reactivity kinetics of carbonyl Platinum clusters "ISSPIC 9, Int. Symp. Small Part. Inorg. Clusters" (Lausanne, Suisse), septembre 1998.

Belloni J., Rémita H., Tréguer M. & Mostafavi M. Alloying or segregation in bi- and multimetallic clusters "ISSPIC 9, Int. Symp. Small Part. Inorg. Clusters" (Lausanne, Suisse), septembre 1998.

Bergès J., Kassab E. & Houée-Levin C. Influence of the charged end of Arginine on disulfide radical structure, protonation and decay (POSTER) "Gordon Conference on Radiation Chemistry", juillet 1998.

58

Burel L., Mostafavi M., Murata S. & Tachiya M. Mechanism of electron transfer reactions in non-polar and in medium polar solvents "NIMC - International symposium on photoreaction control and photofunctionnal materials." (Tsukuba, Japon), mars 1998.

Clément R., Coradin T., Amouyal E., Francis A. & Holt J. Intercalate aggregation and NLO properties of intercalated lamellar chalcogeno-phosphate lattices "MRS 1998 Fall Meeting" (Boston, USA), novembre 1998.

François L.; Mostafavi, M.; Belloni, J. Suspensions de particules d'or : effet de taille sur la limitation optique (poster) "Doctoriales Doc'98, organisées par Paris-Sud" (Garchy), 22-27 novembre 1998.

Lainé P. & Amouyal E. Nouveaux composés bis-terpyridiniques de l’osmium: vers des états de charges séparées de longues durées de vie "Journées annuelles de chimie de coordination" (Rennes), décembre 1998.

Marignier J.-L. Photopolymérisation de l'asphalte. Aplications aux procédés photomécaniques après 1850. "Nicéphore Niepce, une nouvelle image" (Chalon/Saône), janvier 1998.

Marignier J.-L. L'invention de la photographie par Nicéphore Niepce : apport de la voie expérimentale "Nicéphore Niepce, une nouvelle image." (Chalon/Saône), janvier 1998.

Mostafavi M., Burel L. & Murata S. Mechanism of electron transfer fluorescence quenching in non-polar solvents "Annual Meeting of the Chemical Society of Japan." (Tokyo, Japon), mars 1998.

Mostafavi M., Burel L., Murata S. & Tachiya M. Electron transfer in non-polar solvents "GDR Acte Chimique Elémentaire" (Ury), mars 1998.

Mostafavi M., Burel L., Murata S. & Tachiya M. Mechanism of electron transfer fluorescence quenching in non-polar solvents "XVII IUPAC Symposium on photochemistry" (Barcelone, Espagne), juillet 1998.

Ruhlmann L. Direct anodic coupling of porphyrins : an original route to selective preparation of bis- and multiporphyrins "Seminar Struktur/Funktion beziehungen in Redoxproteinen" (Technische Universität Berlin, Berlin, Allemagne), 20 janvier 1998.

Ruhlmann L. Spectroelectrochemistry of heterodimers and -trimers of manganese porphyrinates in aqueous solution, at pH 12, and electrocatalytic oxygen evolution "Ru-Mn Artificial Photosynthesis Workshop" (Sjudarhöjden Conference Center, Stockholm (Suède)), 14-16 mai 1998.

Ruhlmann L. Manganese and ruthenium porphyrins as compared to other manganese and ruthenium complexes "Seminar Bioorganische Chemie, Freie Universität Berlin" (Berlin, Allemagne), 8 janvier 1998.

59

Tréguer M., Belloni J., Rémita H. & Khatouri J. Reactivity kinetics of carbonyl Platinum clusters "JECR 1998" (Bonascre), mai 1998.

Abdeljalil E., Keita B., Nadjo L., Girard F., Gerschwiler S., Contant R. & Haut C. Dépôts de nouveaux oxydes métalliques électroactifs par electroréduction d'hétéropolyanions "Journées d'Electrochimie" (Toulouse), 1-4 juin 1999.

Amouyal E. Photochimie de coordination : de la conversion de l’énergie solaire à l’électronique moléculaire (Versailles), (Institut Lavoisier, Institut de Réactivité, Electrochimie et Microporosités), juin 1999.

Amouyal E. Intramolecular electron transfer in polypyridyl complex-based molecular systems "Elementary Chemical Processes in Liquids" (Bad Herrenalb, Allemagne), octobre 1999.

Amouyal E. Photonique moléculaire : systèmes supramoléculaires à base de complexes polypyridiniques de métaux de transition (Laboratoire d’Electrochimie Organique et de Photochimie Rédox, Grenoble), 27 octobre 1999.

Audette M., Blouquit Y. & Houée-Levin C. Dimérisations radioinduites de protéines "4ème

Congrès de Radiobiologie Fondamentale et Appliquée" (St François, Guadeloupe), décembre 1999.

Belloni J., Recent developments in the quantum yield of the photographic latent image formation, in (Ecole Polytechnique ETH Zürich et Université de Bâle), janvier 1999.

Chapelier A., Desmadril M. & Houée-Levin C. Effet des rayonnements gamma sur la structure de la thioredoxine et de l'-lactalbumine. "4ème Congrès de Radiobiologie Fondamentale et Appliquée" (St François, Guadeloupe), décembre 1999.

François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P. Effet de la taille des particules d'or sur la limitation optique "Réunion thématique du groupement de recherche : "Matériaux et fonctions de l'optique non linéaire"" (Grenoble), 15-16 Juin 1999.

François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Effect of gold particle size on the optical limiting response and dynamics (poster) "4th mediterranean workshop and topical meeting : " Novel Optical Materials and applications ", NOMA' 99" (Cetraro, Italy), 4-10 juillet 1999.

Keita B., Nadjo L., Belhouari A. & Contant R. Efficient conversion of NO into N2O by selected electroreduced Keggin and Dawson-type heteropolyanions. "50th ISE International Meeting" (Pavia), 5-10 septembre 1999.

Keita B., Nadjo L., Belhouari A., Contant R., Abbessi M. & Canny J. Electrochemistry and spectroelectrochemistry of iron-substituted Dawson-type tungstodiphosphates : single or multiple elrctronation due to substituent nature or position. "50th ISE International Meeting" (Pavia), 5-10 septembre 1999.

60

Lainé P. & Amouyal E. Synthesis and properties of Ru(II) and Os(II) complexes with novel triarylpyridinio-modified polypyridyl ligands "5th FGIPS Meeting in Inorganic Chemistry" (Toulouse), octobre 1999.

Lainé P. & Amouyal E. Synthèse et propriétés de complexes du ruthénium (II) et de l’osmium (II) avec de nouveaux ligands accepteurs triarylpyridinio-polypyridiniques "Journées Annuelles de Chimie de Coordination" (Paris), décembre 1999.

Lampre I., Markovitsi D., A. Sharonov & Veber M. Triarylpyrylium salts : dynamics of the monomer-dimer equilibrium via a triplet absorption study "Photoprocesses in Molecular Assemblies" (Dourdan), 27-30 juin 1999.

Lu Y.W. Electrodétosylation totale du N', N'-bis(o-tosylaminophényl) malonamide "Journées d'Electrochimie" (Toulouse), 1-4 juin 1999.

Nadjo L., Keita B., Abdeljalil E., Girard F., Gerschwiler S., Contant R. & Haut C. Electrochemically-induced transformations of heteropolyanions : new electroactive metal oxide films studied by EQCM "50th ISE International Meeting" (Pavia), 5-10 septembre 1999.

Nadjo L., Keita B., Mahmoud A., Oung O., Contant R., Brown S. & Kouchkovsky Y. De. Coupled electron and proton transfers: compared behaviours of oxometalates in aqueous solution or after entrapment in polymer matrices. "50th ISE International Meeting" (Pavia), 5-10 septembre 1999.

Sicard-Roselli C., Lemaire S., Jacquot J-P. & Houée-Levin C. Oxydation à un électron de la thioredoxine : rôle des résidus tryptophane "4ème Congrès de Radiobiologie Fondamentale et Appliquée" (St François, Guadeloupe), décembre 1999.

Sicard-Roselli C., Lemaire S., Jacquot J-P. & Houée-Levin C. Sensitivity of thioredoxin tryptophan residues toward one-electron oxidation (POSTER) "11th ICRR" (Dublin, Irlande), juillet 1999.

Amouyal E. Conversion et stockage de l’énergie solaire: la filière photochimique (Ecole Doctorale Sciences de la Matière et du Rayonnement, Lille), janvier 2000.

Amouyal E., Lainé P. & Gelly G. Photophysical study of new polyad systems based on Ru(II) and Os(II) polypyridine complexes "Real Time Probing of Elementary Chemical Processes in Liquids" (Paris), 15-17 octobre 2000.

Amouyal E. Energie solaire : production photochimique d'hydrogène (DRECAM/SCM, CEA, Saclay), 15 décembre 2000.

Belloni J. Récents développements sur la sensibilité des films photographiques "Les Mercredis de la Boule" (Université de Toulouse), avril 2000.

61

Belloni J. Récents développements sur la sensibilité des films photographiques (Université de Sétif, Algérie), mai 2000.

Belloni J. Récents développements sur la sensibilité des films photographiques (Université de Constantine, Algérie), mai 2000.

Belloni J. Récents développements sur la sensibilité des films photographiques "Commission de l'Image et du Son" (Paris), mai 2000.

Belloni J., Gaillard M , Monard H., Lampre I., Mostafavi M., Marignier J.L., Gravey T. & Bourdon J.C. ELYSE : a new picosecond pulse radiolysis facility for physical chemistry at Orsay "Int. Conf. Ultra Programme, ESF" (Coïmbra, Portugal), octobre 2000.

Belloni J., Gaillard M. , Monard H., Lampre I., Mostafavi M., Marignier J.L., Gravey T. & J.C. Bourdon. ELYSE : a new picosecond pulse radiolysis facility for physical chemistry at Orsay, "Int Conf. Real Time Probing of Elementary Chemical Processes in Liquids" (GDR, Paris), octobre 2000.

Bergès J. & Houée-Levin C. One-electron reduction of disulfide bonds in proteins and model compounds (Leba, Pologne), septembre 2000.

François L., Mostafavi M., Belloni J., Delaire J. & Feneyrou P. Size dependent efficiency of optical limiting induced by gold clusters "Second international symposium on optical power limiting, ISOPL 2000" (Venise, Italie), July 2-5 2000.

François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Effect of gold cluster size on the effiency and dynamics of optical limiting (poster) "3rd NIMC International Symposium on Photoreaction Control and Photofunctional Materials (PCPM 2000)" (Tsukuba, Ibaraki, Japan), March 15-17 2000.

François L., Mostafavi M., Belloni J., Delouis J.-F., Delaire J. & Feneyrou P. Effect of gold cluster size on the effiency and dynamics of optical limiting (poster) "Réunion thématique "nanoparticules"" (Ecole Polytechnique, Palaiseau), March 15-17 2000.

Lainé P., Amouyal E. Synthèses et propriétés de nouveaux complexes du ruthénium(II) et de l'osmium(II) avec des ligands substitués par des accepteurs d'électrons du type triarylpyridinio "7ème rencontre Lumière sur les Systèmes Moléculaires Organisés" (Marly-le Roi), 20-22 juin 2000.

Mostafavi M., François L., Belloni J., Delaire J. & Feneyrou P. Limitation induite par les clusters d'or stabilisés en solution. Mécanismes et effets de taille, "Journée "Particules" GDR Matériaux et fonctions de l'optique non linéaire" (Palaiseau), octobre 2000.

Pommeret S., Gobert F., Haïdar R., Bugnet S., Vigneron G., Mialocq J.C., Mostafavi M., Lampre I. & Pernot P. Interaction of terawatt laser pulses with neat water "12th Int. Conf. on Ultrafast Phenomena" (Charleston, USA), 9-13 juillet 2000.

62

Rémita H. & Belloni J. Radiation-induced mono- and bimetallic clusters "Gordon Conference on Radiation Chemistry" (Plymouth, USA), 25-30 juin 2000.

Belloni J. La Photographie dopée (Ecole Nationale Supérieure de Cachan), janvier 2001.


Demachy I. & Jean Y. Changement de l'état électronique fondamental entre le p-phénylène bis (méthylène) et son dérivé fluoré (poster) "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

Fleurat-Lessard P. & Volatron F. Etude theorique des distorsions structurales du tetrakis(dimethyle amino) ethylene (poster) "Journées Francophones des Jeunes Physico-chimistes" (Montpellier), juillet 1998.

Fleurat-Lessard P. & Volatron F. Analyse théorique de la structure des derives triamino de l'aluminium Al(NR2)3 (poster) "Journées Francophones des Jeunes Physico-chimistes" (Montpellier), juillet 1998.

Lledos A. & Jean Y. Etude DFT de la rotation interne dans le dimère quadruplement lié Mo2Cl4(PH3)4 (poster) "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

Simon A., Chapuisat X., Lauvergnat D. & Maître P. Analyse Valence-Bond du transfert d’hydrogène 1-2 dans HXY (Communication orale nationale) "3ème Colloque Journées de Spectroscopie Moléculaire" (Reims), juillet 1998.

Simon A., Chapuisat X., Lauvergnat D. & Maître P. Analyse Valence-Bond du transfert d’hydrogène dans HCN et les molécules isoélectroniques (Communication orale nationale) "Réunion des chimistes théoriciens français" (Lille), septembre 1998.

Simon A., Chapuisat X. & Maître P. A Valence-Bond analysis of the 1-2 hydrogen shift in HXY, where XY = CN, CP, SiN, SiP (Communication orale internationale) "Third European Workshop on Quantum Systems in Chemistry and Physics" (Grenade, Espagne), mars 1998.

Soep B., Hanine M. El & Maître P. Solvatation du Magnésium neutre et cationique dans des agrégats de NH3 : expérience et théorie (Communication orale nationale) "Réunion du GDR agrégat" (Carry le Rouet), novembre 1998.

Tomas J., Lledos A. & Jean Y. Le complexe de Kubas revisité : étude théorique de l'addition de H2 et structure de la forme dihydrure (poster) "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

63

Tomas J., Lledos A. & Jean Y. Capacité d'un fragment métallique ML5 à casser une liaison H-H (poster) "6ème réunion des chimistes théoriciens français" (Villeneuve d'Ascq), octobre 1998.

Demachy I., Jean Y. & Lledos A. Singlet-triplet separation along internal rotation in quadruply bonded dimolybdenum complexes (poster) "Fourth European Workshop "Quantum systems in Chemistry and Physics"" (Marly le Roi), avril 1999.

Fleurat-Lessard P. & Volatron F. Analyse théorique de la structure des dérivés triamino de l'aluminium Al(NR2)3 (poster) "Cinquième école d'été de physicochimie théorique" (Marly-le-Roi), septembre 1999.

Simon A., Ohanessian G. & Maître P. Sequential activation of methane by W+ in the gas phase : a theoretical study (poster) "Congrès ERIG" (Gif-sur-Yvette), novembre 1999.

Ungerer P., Derivation of force fields for the molecular simulation of liquid-vapor equilibria of alkanes and multipolar fluids, in “AICHE Meeting” (Dallas, USA), 31 octobre - 5 novembre 1999.

Ungerer P., Prédiction des propriétés d'équilibre et de transport des fluides par simulation moléculaire, in “6èmes journées européennes de thermodynamique contemporaine (JETC6)” (Carry le Rouet), 13-15 septembre 1999.

Bacchus-Montabonel M.-C., Baloïtcha E., Desouter-Lecomte M. & Vaeck N. Calcul ab-initio des constantes de vitesse pour la collision Si 4+ + He} (poster) "Colloque de la division de Physique Atomique, Moléculaire et Optique de la Société Française de Physique (PAMO2000)" (Lyon), 10-13 juillet 2000.

Bacchus-Montabonel M.-C., Vaeck N. & Desouter-Lecomte M. Ab-initio molecular treatment of electron capture in ion-atom collisions (poster) "Topics on Atomic and Molecular Physics in Fusion Plasmas" (Madrid, Espagne), 13-15 septembre 2000.

Baloïtcha E., Desouter-Lecomte M., Vaeck N. & Bacchus-Montabonel M.-C. Time-dependent and time-independent wave packet methods for charge-exchange processes in ion-atom collisions. Application to Si4++ He' (poster) "Dynamical Aspects of Atomic and Molecular Systems (DYNAM)" (Arcachon), 31 mai - 3 juin 2000.

Blasco S., Demachy I., Jean Y. & A. Lledos. Etude du mode de coordination des ligands S2 dans les complexes bimétalliques du type Fe2Cp2(S2)2 (poster) "7ème Réunion des Chimistes Théoriciens Français" (Gruissan), octobre 2000.

Braïda B. & Hiberty P. Liaisons à trois électrons dans les ions radicaux (poster) "Journées francophones des jeunes physico-chimistes" (Ecole Polytechnique), 10-12 mai 2000.

Braïda B. & Hiberty P. Ruptures de symétrie dans les liaisons à trois électrons (poster) "7ème Réunion des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre 2000.

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Desouter-Lecomte M., Justum Y., Lauvergnat D. & Dive G., H transfer dynamics in rigidly or adiabatically constrained systems. Isomerization of HCN, H2CO and H3CO (poster), in “DYNAM 2000 (Satellite meeting of the Xth ICQC)” (Arcachon), du 31/05 au 03/06 2000.

Dubois V., Archirel P. & Boutin A. Simulation Monte-Carlo de la solvatation de l'ion Ag+ "7ème Rencontre des Chimistes Théoriciens Francophones" (Gruissan), 9-13 octobre 2000.

Fleurat-Lessard P. & Volatron F., Tetracoordinated transition metal complexes : geometrical dependance upon electron counting, in “Xth International Congress of Quantum Chemistry” (Menton), juin 2000.

Fleurat-Lessard P. & Volatron F. Complexe tétracoordines des métaux de transition : préférence géometrique en fonction du décompte électronique "Journées Francophones des Jeunes Physico-chimistes" (Paris), mai 2000.

Fleurat-Lessard P. & Volatron F. Complexe tétracoordines des métaux de transition : préférence géométrique en fonction du décompte électronique "7ème Réunion des Chimistes Théoriciens Français" (Gruissan), octobre 2000.

Fleurat-Lessard P., Volatron F. & Durupthy O. Structure électronique du pentafluorure du Xénon. Pseudorotation de l'atome central dans les composés AX5E2 (poster) "Journées Francophones des Jeunes Physico-chimistes" (Paris), mai 2000.

Fleurat-Lessard P., Volatron F. & Durupthy O., Xenon pentafluoride anion XeF5-

electronic structure and pseudorotation mechanism in AX5E2 species, in “Xth International Congress of Quantum Chemistry” (Menton), juin 2000.

Lauvergnat D. & Nauts A. Calcul numérique exact d'un opérateur énergie cinétique en cordonnées curvilignes (poster) "7RCTF (7ème Rencontre des Chimistes Théoriciens Francophones)" (Gruissan), du 09/10 au 13/10 2000.

Lauvergnat D., Nauts A., Justum Y. & Chapuisat X., A harmonic Adiabatic Approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules" (poster), in “DYNAM 2000 (Satellite meeting of the Xth ICQC)” (Arcachon), du 31/05 au 03/06/ 2000.

Lauvergnat D., Nauts A., Justum Y. & Chapuisat X., A harmonic Adiabatic Approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules" (poster), in “PRAHA2000 (The 16th International Conference on High Resolution Molecular Spectroscopy)” (Prague, République Tchèque), du 03/09 au 07/09 2000.

Lauvergnat D., Nauts A., Justum Y. & Chapuisat X. A harmonic adiabatic approximation (HADA) to calculate highly excited vibrational levels of "floppy molecules" (poster) "General Scientific Meeting of the Belgian Physical Society" (Louvain-la-Neuve, Belgique), 25-26 mai 2000.

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Lauvergnat D., Nauts A., Justum Y. & X. Chapuisat. Niveaux vibrationnellement très excités de molécules "molles". Approximation Adiabatique Harmonique (HADA) (poster) "PAMO 2000 ( Colloque de la division de physique atomique, moléculaire et optique de la société française de physique)" (Lyon), 10-13 juillet 2000.

Penaud-Berruyer F. Protonation of ,-alkylamines in the gas phase : thermochemistry and reactivity of the protonated forms (poster) "15th International Mass Spectrometry Conference" (Barcelone, Espagne), 2000.

Ungerer P., Bubble point calculation of alkane mixtures by Monte Carlo simulation, in “14th International congress of chemical and process engineering” (Prague), 27-31 août 2000.

Vaeck N., Bacchus-Montabonel M.-C., Baloitcha E. & Desouter-Lecomte M. Traitement ab-initio pour le calcul des constantes de vitesse à basse température dans les collisions ion-atome (poster) "7ème Rencontre des Chimistes Théoriciens Francophones (7ème RCTF)" (Gruissan), 9-13 octobre 2000.

Vaeck N., Baloïtcha E., Bacchus-Montabonel M.-C. & Desouter-Lecomte M. Wave packet dynamics for electron capture in ion-atom collisions (poster) "2th EGAS, European Group of Atomic Spectroscopy" (Vilnius, Lithuanie), 4-7 juillet 2000.

VI. LIVRES OU CHAPITRES DE LIVRES


Botter R., Lavery R., Leach S. & Marx R. Eds Un siècle de chimie physique 1903-1999 (EDP Sciences) Journal de Chimie Physique, N° hors série, 2000.


Roy P., Mathis Y.-L., Paolone A., Giura P., Tremblay B., Nucara A., Lupi S., Calvani P. & Gerschel A. New higher brilliance sources of infrared synchrotron radiation in Infrared Synchrotron Radiation, (P. Calvani and P. Roy, Nuovo Cimento Press), 1998.

Fuchs A. L'irréversibilité des phénomènes naturels à l'échelle macroscopique. Le point de vue d'un chimiste dans Le temps et ses représentations, sous la direction de B. Piettre, L'Harmattan:, pp. 109, 2001.


Belloni J. Contribution of radiation chemistry to metal cluster studies in “Centennial of radioactivity discovery”, Special issue of Rad. Research; Travis E.L. and Masson K.A. Eds., Vol. 150, pp. S9-S20, 1998.

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Grand D. Encyclopaedia Universalis, Rubrique “Spectrophotométrie”, Edition 2000.

Keita B., Belhouari A., Nadjo L. & Contant R. New aspects of isopoly and heteropolyanions in electrochemistry/chemically modified electrodes, catalysis in n° spécial “polyoxométallates”, (C.R.Acad.Sci.Paris, Série IIC), pp. 333, 1998.

Keita B., Essaadi K., Belhouari A., Nadjo L., Contant R. & Justum Y. Catalysis of the oxidation of NADH by heteropolyanions : a kinetic study in n° spécial “polyoxométallates”, (C. R. Acad. Sci. Paris, Série IIC), Vol. t.1, pp. 343, 1998.

Khatouri J., Mostafavi M. & Belloni J., Kinetics of electron transfer in solution catalyzed by metal clusters, in “Photochemistry and Radiation Chemistry : Complementary methods for the study of electron transfer”, pp. 293-314, Wishart J., Nocera D. Eds, (ACS)1998.

Belloni J. & Mostafavi M. Radiation-induced metal clusters. Nucleation mechanisms and physical chemistry in “Metal clusters in chemistry”; Braunstein P., Oro R., and Raithby P., Eds., (J. Wiley, VCH), pp. 1213-1247, 1999.

Marignier J.-L. Nicéphore Niépce. L'invention de la photographie - Collection “Un savant, une époque”, (Belin), pp. 608, 1999.

Marx R. & Rosmus P. Vibrational relaxation of small molecular ions; Ng Y Chenk Yiu Ed., (J. Wiley), 1999.

Belloni J. & Delcourt M.O. Interaction rayonnement-matière dans Rayonnements ionisants; B. Tilquin Ed.,: Université Louvain-la-Neuve, pp. 7-37, 2001.

Belloni J. & Mostafavi M. Radiation Chemistry of nanocolloids and clusters in Studies in physical and theoretical Chemistry 87. Radiation Chemistry : Present status and future trends; C.D. Jonah and M. Rao Eds, Elsevier:, pp. 411-452, 2001.

Belloni J. & Mostafavi M. Synthèse induite par irradiation de nanoagrégats métalliques ou semiconducteurs in Rayonnements ionisants B. Tilquin Ed. Eds.: Université Louvain-la-Neuve, pp. 107-115, 2001.

Keita B. & Nadjo L. Electrocatalysis by Chemically Modified Electrodes of the main inorganic chemicals, Encyclopedia of Electrochemistry (accepté) A.J. Bard and M. Stratmann, Eds., Wiley-VCH, 2001.


Hiberty P., Chapuisat X., Volatron F. & Jean Y. N° spécial en l'honneur du 60ème anniversaire de L. Salem in n° spécial Theochem.; Chapuisat X., Hiberty P., Volatron F., Rivail J.-L. and Jean Y. Eds., Vol. 424, 1998.

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Hiberty P. C. & Shaik S. BOVB - A valence bond method incorporating static and dynamic electron correlation effect dans Valence Bond Theory, Theoretical and Computational Chemistry Book Series; D.L. Cooper and D.J. Klein eds., Elsevier: Amsterdam, Vol. (sous presse), 2001.

VII. VULGARISATION SCIENTIFIQUE


Boissel P. , de Parseval P. , Joblin C. & Marty P. La matière interstellaire en laboratoire, Images de la Physique « Revue du CNRS », 1998.

Dutuit O. Interaction entre les atomes ou les molécules en phase gazeuse et le rayonnement synchrotron dans l’ultraviolet lointain « Exposé et intervention dans le cadre d’un stage MAFPEN de formation permanente des enseignants du secondaire » (Orsay), 10 mars 1998.

Boissel P., de Parseval P., Joblin C. & Marty P. Le milieu interstellaire en laboratoire, Revue du CNRS, 1999.

Boissel P., Gée C., Heninger M., Lemaire J., Marx R. & Mauclaire G. Les ions mis en boîte : la cellule à résonance cyclotronique ionique et la spectrométrie de masse par transformée de Fourier « Plein Sud Spécial recherche, Revue de l’Université Paris-Sud », pp 94-100, 1999.

Dutuit O. Interaction entre les atomes ou les molécules en phase gazeuse et le rayonnement synchrotron dans l’ultraviolet lointain « Exposé et intervention dans le cadre d’un stage MAFPEN de formation permanente des enseignants du secondaire » (Orsay), 14 janvier 1999.

Dutuit O. La chimie atmosphérique de Titan, satellite de Saturne, étudiée avec le rayonnement synchrotron « Intervention auprès de lycéens du Lycée Franco-allemand » (Buc), 1999.

Marx R. Twenty years have already passed, J. Chimie Phys. Et Physico- Chimie Biologique, 1-11, 1999.


Bataille X., Bram G. & Fuchs A.H. Le retour de l’hypothèse radiative de Jean Perrin, L’Actualité Chimique (11-12), 47, 1998.

Moussa F. & Szwarc H. Le carbone au corps : Comment l’organisme assimile les fullerènes, Pour la Science, 248, 1998.

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Szwarc H. Participation à “La poudre et l’enclume”, film CNRS-Cité des Sciences et de l’Industrie sur la mécanosynthèse ; a été présenté sur TV5 dans le cadre de l’émission Côté Science le 22 février, 1998.


Belloni J. La personnalité scientifique de Marie Curie (en Polonais), Orbital (Polskie Towarz. Chem.), 9-22, 1998.

Belloni J. The scientific personnality of Marie Skodowska-Curie “100 years after the discovery of Po and Ra” (Varsovie, Pologne), février 1998.

Marignier J.-L., La photographie : de la naissance à nos jours, Société Française de Chimie, Université Pierre et Marie Curie, février (Paris) 1998.

Marignier J.-L., La première photographie, Conférence-animation pour élèves de CM2 des écoles de Granville (100 élèves), Semaine de la Science, organisée par la Région de Basse Normandie, 9 octobre (Granville) 1998.

Marignier J.-L., Les premiers procédés photographiques au monde, Semaine de la Science, organisée par la Région de Basse Normandie, Octobre (Granville) 1998.

Marignier J.-L., L’invention de la photographie, Exposition sur les travaux redécouverte des premiers procédés photographiques, Musée Nièpce, 15 et 16 Janvier 1998.

Marignier J.-L., Techniques des premiers procédés photographiques au monde., Association pour la photo ancienne. Fédération Française des Industries Photographique et Cinématographique, octobre (Paris) 1998.

Marignier J.-L. Le guide du Paris savant. (Rédaction des articles relatifs à l’histoire de la photographie), (Belin), 1998.

Belloni J., La photographie : récents développements, FIUPSO, Science et Génie des Matériaux, Université Paris-Sud, février 1999.

Belloni J. & Rémita, H. La Photographie, Conférence et exposition, Science en Fête, CNRS Michel-Ange, octobre 1999.

Marignier J.-L., Initiation aux techniques des premiers procédés photographiques, Animation de stage, Ecoles des Beaux-Arts, Département des Etudes Supérieures d’Arts Visuels, 8 au 12 Février 1999.

Belloni J., Un laboratoire CNRS-Université Paris-Sud en collaboration avec la Société Agfa-Gevaert N.G. réussit à décupler la sensibilité des émulsions photographiques, La Lettre des Sciences Chimiques, CNRS, 73, 6-7, juillet 2000.

Belloni J., La photographie dopée, Orsay-Info, 60, 9-11, 2000.

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Belloni J., Journées Portes Ouvertes de Science en Fête, Laboratoire de Chimie Physique, Université Paris-Sud, octobre 2000.

Marignier J.-L. La Photogravure, L’Héliographie, le Gillotage, La Photogalvanographie, L’Offset in Vocabulaire Technique de la photographie (sous la direction d’ A. Cartier-Bresson), (Maison Européenne de la Photographie Editeur, Paris), Vol. en préparation, 2000.

Marignier J.-L. La photographie à l’encre. De la photo collée à la photo imprimée in La Photographie et le Livre – Essai collectif sur la nature de la photographie et le statut du livre de photographie(s) à partir de l’analyse des rapports multiformes du livre et de la photographie, (J.M. Place, Paris), Vol. en préparation, 2000.

Belloni J., Des films photographiques ultrasensibles, Universalia, Encyclopaedia Universalis, 2001.

VIII . COURS


Boutin A. Modélisation sur la physico-chimie des matériaux « 5 heures de cours sur la modélisation des zéolithes » (Dijon, Université de Bourgogne), 21-25 juin 1999.


Mostafavi M. Cinétique et Dynamique des Réactions Chimiques « Maîtrise et Magistère de Physico-Chimie Moléculaire » (Université Paris-Sud), 2000.


Archirel P. Orbitals and configurations : the ingredients of quantum chemistry « Ecole d’Hiver du réseau européen SRMI » (Candriai, Italie), 2-3 Février 1998.

Hiberty P.C. Analyse qualitative de la corrélation électronique « 6ème Ecole d’Eté de Physicochimie Théorique » (Marly-le-Roi), septembre 1999.

Jean Y. Règles de Woodward et Hoffmann – Structure et réactivité de complexes de métaux de transition « 3ème cycle interuniversitaire en Chimie Physique Moléculaire à l’invitation du Fonds National de la Recherche Scientifique Belge » (Louvain-la-Neuve, Belgique), juin 1999.

Volatron F. Analyse théorique de la réactivité chimique « 5ème école d’été de physicochimie théorique » (Marly-le-Roi), septembre 1999.

Justum Y. & Nauts A. Questions spéciales de physique et de dynamique moléculaires (Faculté des Sciences de l’Université d’El-Jadida, Maroc), mai 2000.

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IX. THESES (Liste générale)

Berthe-Gaujac N., Etude théorique de dimères présentant des liaisons à un, deux ou trois électrons, Université Paris-Sud, Orsay, 1998, co-direction : P. Hiberty, F. Volatron, Y. Jean, Jury : R. Abouaf, J. Fossey, P.C. Hiberty, Y. Jean, R. Lissilour, A. Lledos.

Gerschwiler S., Etude des interactions entre polyoxométallates et divers matériaux d’électrode, Université Paris-Sud, Orsay, 1998, Jury : M. Chemla, B. Keita, L. Nadjo, J.M. Nigretto, A. Teze.

Lachet V., Simulation moléculaire de l'adsorption sélective des isomères du xylene dans les faujasites, Université Paris-Sud, Orsay, 1998, Jury : J.-P. Bellat, A. Boutin, A. Cheetham, A. Fuchs, D. Nicholson, J.-L. Rivail et B. Tavitian.

Mahmoud A., Nanobalance à cristal de quartz et électrochimie : étude de composites polymères/polyoxométallates, Université Paris-Sud, Orsay, 1998, Jury : J. Bessière, S. Brown, B. Keita, Y. de Kouchkovsky, G. Lecayon, L. Nadjo.

Audette M., Modification radio-induite dans les protéines, Université Paris-Sud, Orsay, 1999, Jury : G. Le Maire, M. Charlier, C. Pasquier, Y. Blanquit, C. Houée-Levin, M. Le Maire.

Tréguer M., Nouvelles approches pour accroître le rendement effectif de formation de l’image latente dans AgX par inhibition de la recombinaison e-/h+, Université Paris-Sud, Orsay, 1999, Jury : J. Delaire, M. Herlem, B. Hickel, J. Belloni, R. de Keyzer, M. Mostafavi.

Ungerer P., Calcul des propriétés d'équilibre et de transport de mélanges d'hydrocarbures par simulation moléculaire, Université Paris-Sud, Orsay, 1999, Jury : M. Condat, A. Fuchs, J.P. Grolier, B. Smit, H. Toulhoat.

Delhommelle J., Etablissement de potentiels d'interactions pour la simulation moléculaire. Application à la prédiction des équilibres liquide-vapeur de mélanges binaires alcane-molécule multipolaire, Université Paris-Sud, Orsay, 2000, Jury : Ph. Boop, A. Fuchs, Ph. Millié, C. Millot, N. Quirke, B. Tavitian.

Fleurat-Lessard P., Etude théorique du rôle des ligands donneurs Pi dans les composés des métaux de transition et du groupe principal, Université Paris-Sud, 2000, Jury : H. Bolvin, B. Lévy, T. Mallah, F. Maseras, J.-Y. Saillard, F. Volatron.

François L., Mécanismes de la limitation optique des agrégats métalliques synthétisés par voie radiolytique, Université Paris-Sud, Orsay, 2000, Jury : F. Hache, F. Kajzar, J. Belloni, J. Delaire, M. Mostafavi, O. Vasseur, P. Feneyrou (invité).

Krakoviack V., Approches de couplage de modes et de champ moyen de la transition vitreuse : utilisation de modèles schématiques pour l'analyse quantitative de la dynamique des liquides surfondus, Université Paris-Sud, Orsay, 2000, Jury : J.-L.

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Barrat, H. Cummins, O. Martin, M. Mézard, G. Tarjus, C. Alba-Simionesco.

Abdeljalil E., Caractérisation de nouveaux catalyseurs à base d'oxométallates par des nanotechnologies : Microscopies à champ proche et nanobalance, Université Paris-Sud, Orsay, 2001, Jury : Claude Lamy, rapporteur et président, Jacques Cousty rapporteur, Dolores Gauyacq, Bineta Keita, Louis Nadjo.

Perronace A., De la thermodynamique irréversible à la mécanique statistique des processus de transport : le calcul des coefficients de thermodiffusion dans des mélanges binaires liquides par dynamique moléculaire, Université Paris-Sud, Orsay, 2001, Jury : A. Fuchs, G. Zerah, P. Bopp, G.Ciccotti, F. Montel, B. Rousseau.

Porcheron F., Forces de solvatation de fluides d'alcanes nanoconfinés, Université Paris-Sud, Orsay, 2001, Jury : A. Fuchs, K. Gubbins, R. Pellenq, E. Perez, P. Turq, B. Rousseau.

X. BREVETS


Krafft M.P. & Gerschel A., Nouveau procédé permettant le confinement de macromolécules, Enveloppe Soleau, 10 janvier 1999.


Belloni J., Rémita H., Tréguer M. & Keyzer R. De, Organic hole trapping center and spectral sensitizer, Patent AGFA GV, Novembre 1998.

Belloni J., Tréguer M., Rémita H. & Keyzer R. De, Photosensitive silver halide emulsion containing a metal carbonyl complex as a dopant, n° US 09/159, 225, Patent AGFA GV, 23 septembre 1998.

Belloni J., Rémita H., Tréguer M. & Keyzer R. De, Incorporation of platinium carbonyl complexes in silver halide matrices, Agfa-Gevaert, Brevet Européen, Contrat industriel 1999.

Belloni J., Rémita H., Tréguer M. & Keyzer R. De, A photosensitive silver halide element with increased photosensitivity, N° US 60/073, 789, Patent AGFA GV, 11 février 1999.

Roselli C. & Perly B., Utilisation de cyclodextrines naturelles ou modifiées pour solubiliser et stabiliser des composés organiques de la famille des isothiocyanates, B12984.3 MDT 1998.

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Les productions ci-dessous sont celles des équipes P. Sebban etF. Mérola qui rejoindront le laboratoire en 2002 et 2001,

respectivement.

Groupe Biophysique (Bio)

I . ARTICLES DANS DES REVUES A COMITE DE LECTURE

(Structure et Fonctionnement des Protéines de Transferts d’électrons)

1998Gupta S., Quirk P.G., Venning J.D., Slade J., Bizouarn T., Grimley R.L., Cotton N.P., and Jackson J.B. Mutation of amino acid residues in the mobile loop region of the NAD(H)-binding domain of proton-translocating transhydrogenase, Biochim Biophys Acta, 1409 (1), 25-38, 1998.

Jackson J.B., Quirk P.G., Cotton N.P., Venning J.D., Gupta S., Bizouarn T., Peake S.J., and Thomas C.M. Interdomain hydride transfer in proton-translocating transhydrogenase, Biochim. Biophys. Acta. Review, 1365 (1-2), 79-86, 1998.

Kalman L., Sebban P., Hanson D.K., Schiffer M., and Maroti P. Flash-induced changes in buffering capacity of reaction centers from photosynthetic bacteria reveal complex interaction between quinone pockets, Biochim. Biophys. Acta (Bioenergetics), 1365, 513-521, 1998.

Rydstrom J., Hu X., Fjellstrom O., Meuller J., Zhang J., Johansson C., and Bizouarn T. Domains, specific residues and conformational states involved in hydride ion transfer and proton pumping by nicotinamide nucleotide transhydrogenase from Escherichia coli., Biochim Biophys Acta. Review, 1365 (1-2), 10-16, 1998.

Valerio-Lepiniec M., Miksovska J., Schiffer M., Hanson D. K., and Sebban P. In bacterial reaction centers, a key residue suppresses mutational blockage of two different proton transfer steps, Biochemistry (accelerated publication), 37 (8), 2077-2083, 1998.

Venning J.D., Bizouarn T., Cotton N.P., Quirk P.G., and Jackson J.B. Stopped-flow kinetics of hydride transfer between nucleotides by recombinant domains of proton-translocating transhydrogenase, Eur J Biochem., 257 (1), 202-209, 1998.

1999

Fjellstrom O, Bizouarn T, Zhang J.W., Rydstrom J., Venning J.D., and Jackson J.B. Catalytic properties of hybrid complexes of the NAD(H)-binding and NADP(H)-binding domains of the proton-translocating transhydrogenases from Escherichia coli and Rhodospirillum rubrum, Biochemistry, 38 (1), 415-422, 1999.

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Fjellstrom O, Axelsson M, Bizouarn T, Hu X, Johansson C, Meuller J, and J. Rydstrom. Mapping of residues in the NADP(H)-binding site of proton-translocating nicotinamide nucleotide transhydrogenase from Escherichia coli A study of structure and function., J. Biol Chem., 274 (10), 6350-6359, 1999.

Hu X, Zhang J, Fjellstrom O, Bizouarn T, and Rydstrom J. Site-directed mutagenesis of charged and potentially proton-carrying residues in the beta subunit of the proton-translocating nicotinamide nucleotide transhydrogenase from Escherichia coli. Characterization of the beta H91, beta D392, and beta K424 mutants, Biochemistry, 38 (5), 1652-1658, 1999.

Miksovska J., Schiffer M., Hanson D. K., and Sebban P. Proton uptake by bacterial reaction centers : the protein complex responds in a similar manner to the reduction of either quinone acceptor, Proc. Natl. Acad. Sci. USA, 96, 14348-14353, 1999.

Miksovska J., Valerio-Lepiniec M., Schiffer M., Hanson D. K., and Sebban P. In bacterial reaction centers, mutations in the environment of the primary quinone facilitate proton delivery to the secondary quinone, Biochemistry, 38 (1), 390-398, 1999.

Tandori J., Sebban P., Michel H., and Baciou L. In Rb. sphaeroides reaction centers, mutation of Proline L209 to aromatic residues in the vicinity of a water channel alters the dynamic coupling between electron and proton transfer processes, Biochemistry, 40, 13179-13187, 1999.

2000

Alexov E., Miksovska J., Baciou L., Schiffer M., Hanson D. K., Sebban P., and Gunner M.R. Modeling the Effects of Mutations on the Free Energy of the First Electron Transfer from QA- to QB in photosynthetic reaction centers, Biochemistry, 39, 20, 5940-5952, 2000.

Bizouarn T., Fjellström O., Axelsson M., Korneenko T., Pestov N., Shakhparonov M., and Rydtsröm J. Interactions between the soluble domain 1 of transhydrogenase from R. rubrum and transhydrogenase from E. coli. Effects on catalytic and H+ pumping, Eur J. Biochem., 267 (11), 3281-3288, 2000.

Bizouarn T., Fjellström O., Meuller J., Axelsson M., Bergvkvist A., Johansson C., Karlsson G., and Rydström. J. Proton translocating nicotinamide nucleotide transhydrogenase from E.coli. Mechanism of action deduced from its structural and catalytic properties. Biochim., Biophys. Acta Review, 1457 (3), 211-228, 2000.

Bizouarn T., Meuller J., Axelsson M., and Rydström J. The transmembrane domain and the proton channel in proton pumping transhydrogenase, Biochim. Biophys. Acta, 1459 (2-3), 284-290, 2000.

Kuglstatter A., Miksovska J., Sebban P., and Fritzsch G. Structure of the photosynthetic reaction centre from rhodobacter sphaeroides reconstituted with anthraquinone as

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primary quinone QA, FEBS Letters, 472, 114-116, 2000.

Photobiologie

1998Garcia P., Mérola F., Receveur V., Blandin P., Minard P., and Desmadril M. Steady-state and time-resolved fluorescence study of residual structures in an unfolded form of yeast phosphoglycerate kinase, Biochemistry, 37, 7444-7455, 1998.

Obsil T., Mérola F., Lewit-Bentley A., and Amler E. The isolated H4-H5 cytoplasmic loop of Na+K+ATPase overexpressed in Escherichia coli retains its ability to bind ATP, FEBS Letters, 426 (3), 297-300, 1998.

1999Al Rabaa A.R., Tfibel F., Mérola F., Pernot P., and Fontaine-Aupart M.P. Spectroscopic and photophysical study of an anthryl probe : DNA binding and chiral recognition, J. Chem. Soc. Perkin Transactions II, 2, 341-351, 1999.

Couprie M.E., Roux R., Nutarelli D., Renault E., and Billardon M. Inter-dependence of the electron beam excitations with the Free Electron Laser stability on the Super-ACO storage ring., Nuclear. Instr. meth. A, 429, 165-171, 1999.

Haouz A., El Moshni S., Zentz C., Mérola F., and Alpert B. Heterogeneous motions within human Apohemoglobin, European Journal of Biochemistry, 264, 250-257, 1999.

Nahon L., Renault E., Couprie M.E., Mérola F., Dumas P., Marsi M., Taleb-Ibrahimi A., Nutarelli D., Roux R., and Billardon M. Applications of UV-storage ring free electron lasers : the case of Super-ACO, Nuclear Instruments and Methods A, 429, 489-496, 1999.

Walker R. P., Diviacco B., Fava C., Gambitta A., Marsi M., Mazzolini F., Couprie M.E., Nahon L., Nutarelli D., Renault E., Roux R., Polle M., Bliss N., Chesworth A., Clarke J. A., Nölle D., Quick H., Dattoli G., Giannessi L., Mezi L., Ottaviani P. L., Torre A., Eriksson M., and Werin W. European Project to Develop a UV/VUV Free-Electron Laser Facility on the ELETTRA Storage Ring, Nuclear. Instr. meth. A, 429, 179-184, 1999.

2000Häfner A., Mérola F., Duportail G., Hutterer R., Schneider F.W., and Hof M. Calcium-induced conformational change in fragment 1-86 of factor X, Biopolymers, 57 (4), 226-234, 2000.

Martinez K., Corringer P.J., Edelstein S.J., Changeux J.P., and Mérola F. Structural differences in the two agonist binding sites of the Torpedo nicotinic acetylcholine receptor revealed by time-resolved fluorescence spectroscopy, Biochemistry, 39 (23), 6979-6990, 2000.

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Nutarelli D., Garzella D., Renault E., Nahon L., and Couprie M.E. Super ACO FEL oscillation at 300 nm, Nuclear. Instr. meth. A, 445, 143-148, 2000.

2001Althage M., Bizouarn T & Rydström J. Characterisation of a region involved in the communication between NADP(H) binding/release and proton pumping in intact E.coli nicotinamide nucleotide transhydrogenase, Biochemistry, 40 (33), 9968-9976, 2001.

Carles S., Desfrançois C., Schermann J. P., Bergès J. & Houée-Levin C. Rydberg electron transfer spectroscopy and ab initio studies of dimethylsulfoxide-water neutral and anion dimers, Int. J. Mass Spectrometry, 205, 227-232, 2001.

Carles S., Lecomte F., Schermann J. P, Desfrançois C., Xu S., Nilles J. M., Bowen K. H., Bergès J. & Houée-Levin C. Non-dissociative electron capture by disulfide bonds, J. Phys. Chem A, sous presse, 2001.

Chapelier A., Desmadril M. & Houée-Levin C. Gamma-radiation effects on -lactalbumin, Can. J. Pharmacol. Physiol., 79, 154-157, 2001.

Grellier P., Sarlauskas J., Anusevicius S., Houée-Levin C., Schrevel J. & Cenas N. Antiplasmodial activity of nitroaromatic and quinoidal compounds : redox potentials vs ; inhibition of human erythrocyte glutathione reductase, Arch. Biochem. Biophys., 393, 199-206, 2001.

Houée-Levin C. Macromolécules biologiques : Introduction à l'action Biologique des rayonnements ionisants, Nauwelaerts Editions, Bruxelles, 53-68, 2001.

Houée-Levin C. & Sicard-Roselli C. Radiation chemistry of proteins in Radiation chemistry : present status and future prospects, C. Jonah et B. M. Rao, eds. Elsevier,, pp. 553-584, 2001.

Kuglstatter A., Ermler U., Michel H., Baciou L. & Fritzsch G. X-Ray Structure Analyses of Photosynthetic Reaction Center Variants from Rhodobactersphaeroides : Structural Changes Induced by Point-Mutations at Position L209 Modulate Electron and Proton Transfer, Biochemistry, 40 (14), 4253-4260, 2001.

Laguitton-Pasquier H., Martre A. & Deronzier A. Photophysical properties of soluble polypyrrole ruthenium (II) complexes, J. Phys. Chem. B, 105 (21), 4801-4809, 2001.

Lombard M., Houée-Levin C., Touati D., Fontecave M. & Nivière V. Superoxide reductase from Desulfoarculus baarsii : reaction mechanism and role of Glutamate 47 and Lysine 48 in catalysis, Biochemistry, 40, 5032-5040, 2001.

Nivière V., Lombard M., Fontecave M. & Houée-Levin C. Pulse radiolysis studies on Superoxide reductase from Treponema Pallidum, FEBS, 497, 171-173, 2001.

Privat E., Melvin T., Mérola F., Schweizer G., Prodhomme S., Asseline U. & Vigny P. Fluorescent properties of oligonucleotide conjugated thiazole orange probes, Photochem. Photobiol., sous presse, 2001.

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Sicard-Roselli C., Perly B. & Bas G. Le. The respective benefits of X-ray cristallography and NMR for the structural determination of the inclusion complex betterave butyl-isothiocyanate and alpha-cyclodextrin, J. Inclusion Phenomena., 39 (3/4), 333-337, 2001.

Tandori J., Baciou L., Alexov E., Maroti P., Schiffer M., Hanson D.K. & Sebban P. Revealing the involvement of extended hydrogen-bond networks in thecooperative function between distant sites in bacterial reaction centres, J. Biol. Chem., 276 (49), 45513-45515, 2001.

** Steenkeste K., Guiot E., Tfibel F., Pernot P., Mérola F., Georges P. & Fontaine-Aupart M.P. Camptothecine-guanine interactions : mechanism of charge transfer reaction upon photoexcitation. Special issue on "Photoprocesses in multichromophoric molecular assemblies", Chem. Physics, in press., 275 (1/3), 2001.

CONFERENCE PROCEEDINGS

1998Mérola F., Fontaine-Aupart M.P., Renault E., Polewski K., Couprie M.E., Garzella D., Nahon L., and Billardon M., Time-resolved Spectroscopy of biological molecules using a ultraviolet free-electron laser, in “Proceedings OEMF spa, 12th International Congress on Photobiolgy (ICP'96)”, 193-199, 1998.

Nutarelli D., Couprie M.-E., Renault E., Roux R., Nahon L., Delboubé A., Boccara C., and Billardon M., Complete characterisation of UV dielectric multilayers mirrors for performance improvment Applications of Free Electron Lasers : the case of Super-ACO., in “Proceedings of the 20th international FEL conference” (Williamsburg (VA, USA)), 16-21 août 1998.

1999Miksovska J., Schiffer, M., Hanson, D. K., Sebban, P., Proton Uptake by Bacterial Reaction Centers : The Protein Complex Responds in a Similar Manner to the Reduction of Either Quinone Acceptor, in “Proc. Natl. Acad. Sci. USA”, 96, pp. 14348-14353, 1999.

Nahon L., Renault E., Couprie M-E., Nutarelli D., Garzella D., Billardon M., Carr G. L., Williams G. P., and Dumas P., Two-color experiments combining the UV-Storage Ring Free Electron Laser and the SA5 IR beamline at Super-ACO, in “Proceedings SPIE, Accelerator-based sources of Infra-Red and spectroscopic applications”, 3775, pp. 145-154, 1999.

Renault E., Nutarelli D., Garzella D., Couprie M.E., and Billardon M., UV dielectric multilayers mirrors for Free Electron Lasers, in “Proceedings SPIE, Advances in Optical Interference Coatings”, 3738, pp. 354-365, 1999.

2000

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Couprie M.-E., Garzella D., Hirsch M., Monneron G., Nahon L., De Ninno G., Nutarelli D., and Renault E., Possible Microstructure in the Super-ACO FEL Pulse, in “Proceedings of the EPAC 2000” (Vienne (Autriche)), 26-30 June 2000.

Hirsch M., Couprie M.-E., De Ninno G., Garzella D., Nahon L., Nutarelli D., and Renault E., The Super-ACO Free Eletron Laser Source, in “Proceedings of the EPAC 2000” (Vienne (Autriche)), 26-30 June 2000.

Renault E., Nahon L., Nutarelli D., Garzella D., Mérola F., and Couprie M.E., Transient Absorption Spectroscopy using the Super-ACO storage ring FEL, in “Proceedings of SPIE, Biomedical applications of Free-Electrons Lasers” (SPIE's International Symposium on BiOS 2000. San Jose, California, 21-28 january 2000), 3925, pp. 29-39, 2000.

Roux R., Bracco R., Diviacco B., Ferianis M., Gambitta A., Godnig R., Loda G., Marsi M., Mazzolini F., Pangon G., Pangos N., Svandrlik M., Trovò M., Walker R.P., Zangrando D., Couprie M. E., Garzella D., Nahon L., Nutarelli D., Renault E., Poole M.W., Bliss N., Chesworth A., Clarke J. A., Nölle D., Quick H., Dattoli G., Giannessi L., Mezi L., Ottaviani P. L., Torre A., Eriksson M., and Werin S., Status of the European storage ring FEL project at ELETTRA Free Electron Lasers 1999, B.V., in “Proceedings of 21st International Free Electron Laser Conference” (Hamburg, (Allemagne)), pp. II21-II22, 23-28 août 2000.

Walker R.P., Abrami A., Battistello L., Bliss N., Bracco R., Chesworth A.A., Clarke J.A., Couprie M.-E., Dattoli G., Diviacco B., Eriksson M., Fava C., Fell B., Ferianis M., Gambitta A., Garzella D., Giannessi L., Godnig R., Hill C., Iazzourene F., Loda G., Lonza M., Marl R., Marsi M., Mazzolini F., Mezi L., Mullacrane I.D., Nahon L., Nolle D., Nutarelli D., Ottaviani P.L., Pangon G., Pangos N., Pasqualetto M., Poole M.W., Pradal F., Quick H., Reid R.J., Renault E., Roux R., Svandrlik M., Torre A., Tromba G., Trov M., Vascotto A., Visintini R., Werin S., Wille K., and Zangrando D., The European UV/VUV Storage Ring FEL project at Elettra (sous presse), in “Proceedings of the EPAC 2000” (Vienne (Autriche)), 26-30 June 2000.

CONFERENCES INTERNATIONALES INVITEES

Renault E., Nahon L., Nutarelli D., Garzella D., Guillou T., Couprie M.E., Mérola F., and Billardon M., Perspective of the Transient Absorption Spectroscopy: ionization of DNA components in aqueous solution, in “EMBO Workshop "Potential Future Applications in Structural Biology of X-ray Free Electron Laser at DESY"” (Hamburg, 4-8 July), 1999.

Renault E., Transient Absorption Spectroscopy in Biology Using the Super-ACO Storage Ring FEL and the Synchrotron Radiation Combination, in “22nd International Free Electron Laser Conference and 7th FEL Applications Workshop at DUKE Free Electron Laser Laboratory” (Durham, U.S.A.), 13-18 août 2000.

Mérola F., Martinez K.L., Corringer P.J., Edelstein S.J. & Changeux J.P. Time-resolved fluorescence as a tool for probing the structure and pharmacology of agonist binding sites in a ligand-gated ion channel: application to the Torpedo nicotinic acetylcholine

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receptor "9th European Conference on the Spectroscopy of Biological Molecules (ECSBM)" (Prague, Czech Republic), September 8-13 2001.

Sebban P. Proton uptake and quinone connection in bacterial reaction center "Congrès International de Photosynthèse" (Brisbane), 2001.

Sebban P. Proton uptake and quinone connection in the bacterial reaction centre "Congrès jumelé des sociétés allemande et française de Biophysique : Biophysical aspects of electron and proton transfer" (Hundfeld, Allemagne), mai 2001.

CONFERENCES NATIONALES INVITEES

Renault E., Mirrors of the ELETTRA storage ring FEL project, in “3rd project meeting Development of a combined Synchrotron Radiation and VUV Free Electron Laser Facility” (Daresbury, Angleterre)), 23 Novembre 1998.

Renault E., Nutarelli D., and Couprie M.E., Optiques UV pour SOLEIL., in “APD SOLEIL” (Gif sur Yvette), 16 septembre 1998.

Couprie M. E., Nutarelli D., Roux R., Garzella D., Renault E., Nahon L., and M. Billardon, Localized heating of the Super-ACO FEL, in “21st International Free Electron Laser Conference and the 6th FEL Application Workshop” (Hamburg, Allemagne), 23- 28 août 1999.

Renault E., Super-ACO Storage Ring FEL and its applications, in “7th Annual Workshop on European Synchrotron Light Sources” (Berlin, (Allemagne)), 7-9 novembre 1999.

Renault E., Photobiology by the transient absorption of different FEL excited chromophoric compounds at Super-ACO Storage Ring FEL, in “21st International Free Electron Laser Conference and 6th FEL Applications Workshop” (Hamburg, (Allemagne), 23-28 août 1999.

Renault E., The operation of the Super-ACO FEL source, in “First network meeting " Towards a Storage Ring Free Electron Laser at 200 nm "” (Orsay), 1-2 février 1999.

Renault E. and Merola F., Transient absorption in the UV, in “First network meeting " Towards a Storage Ring Free Electron Laser at 200 nm "” (Orsay), 1-2 février 1999.

Renault E., Nahon L., Nutarelli D., Garzella D., T.Guillou, Dumas P., Couprie M.-E., Mérola F., Marsi M., Taleb-Ibrahimi A., Carr L., and Billardon M., Applications of the Super-ACO Storage Ring Free Electron Laser (poster), in “21st International Free Electron Laser Conference and the 6th FEL Application Workshop” (Hamburg, Allemagne), 23-28 août 1999.

Roux R., Diviacco B., Ferianis M., Gambitta A., Loda G., Marsi M., Mazzolini F., Pangos N., Svandrlik M., M.Trovo, Walker R. P., Couprie M.E., Garzella D., Nahon L., Nutarelli D., Renault E., Poole M. W., Bliss N., Chesworth A., Clarke J. A., Quick H., Dattoli G., Giannessi L., Mezi L., Ottaviani P. L., Torre A., Eriksson M., and S. Werin, Status of the

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ELETTRA storage ring FEL project, in “21st International Free Electron Laser Conference and the 6th FEL Application Workshop” (Hamburg, Allemagne), 23- 28 août 1999.

Carré V., Gustavsson T., and Renault E., Femtosecond Spectroscopic Study of Cytosine (poster), in “Ecole Femto 2000 : Première école des technologies des sources et des systèmes femtosecondes” (Saint-Etienne), 2-6 octobre 2000.

Dattoli G., Giannessi L., Mezi L., Renieri A., Couprie M.-E., Ninno G. De, Garzella D., Nutarelli D., Renault E., and Roux R., S.R. FEL pulse propagation problems and e-beam instabilities (poster), in “22nd International Free Electron Laser Conference and 7th FEL Applications Workshop at DUKE Free Electron Laser Laboratory” (Durham, U.S.A.), 13-18 août 2000.

Ninno G. De, Garzella D., Hirsch M., Nahon L., Nutarelli D., Renault E., and M.-E. Couprie, FEL-beam interaction in a Storage Ring: new model versus experimental results (poster), in “22nd International Free Electron Laser Conference and 7th FEL Applications Workshop at DUKE Free Electron Laser Laboratory” (Durham, U.S.A.), 13-18 août 2000.

Renault E. Applications du Laser à Électrons Libres de Super-ACO et production de photons gamma par rétrodiffusion Compton "JECR 2000 : Journées d'Etudes de la Chimie sous Rayonnement" (Houffalize, Belgique), 20-25 mai 2000.

Renault E., Transient Absorption Spectroscopy using the Super-ACO Storage Ring FEL, in “Bios 2000 : International Biomedical Optics Symposium / Biomedical Applications of Free-Electron Lasers” (San Jose, U.S.A.), 23-28 janvier 2000.

Sicard-Roselli C., Jacquot J.-P., and Houée-Levin C. One-electron oxidation of thioredoxin : role of tryptophan residues. "Gordon Conference on Radiation Chemistry" (Plymouth, NH), juin 2000.

Baciou L. Données structurales concernant les centres réactionnels "La quinone dans tous ses états" (Saint-Rémy-les-Chevreuse), novembre 2001.

Bizouarn T. Assymétrie structurale et fonctionelle de la nicotinamide nucléotide transhydrogénase "Congrès du Groupe Francais de Bioénergétique" (Dourdan, France), 28 sept-1 oct 2001.

Sebban P. Les quinones : transferts d'électrons et de protons "La quinone dans tous ses états" (Saint-Rémy-les-Chevreuse), novembre 2001.

Sebban P. Effet de la fixation des métaux de transition sur les centres réactionnels bactériens : la pénétration des protons implique des voies multiples "Congrès du Groupe Français de Bioénergétique" (Dourdan), septembre 2001.

LIVRE OU CHAPITRE DE LIVRE

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Mérola F., Fontaine M.P., Renault E., Polewski K., Couprie M.E., Garzella D., Nahon L., and Billardon M. Time-resolved spectroscopy of biological molecules with an ultraviolet Free-Electron Laser in Landmarks in Photobiology Hönigsmann H., Knobler R.M., Trautinger F. and Jori G. Eds., (OEMF Spa, Milan), pp. 193-199, 1998.

Houée-Levin C. Macromolécules biologiques dans Introduction à l'action biologique des rayonnements ionisants,:, Vol. sous presse, 2001.

Houée-Levin C. & Sicard-Roselli C. Radiation chemistry of proteins in Radiation chemistry : present status and future prospects, C. Jonah et B. M. Rao, eds. Elsevier,, pp. 553-584, 2001.

Laguitton-Pasquier H., Pevenage D., Ballet P., Vuorimaa E., Lemmetiynen H., Jeuris K., De Schryver F.C. & Van Der Auweraer M. Space and Time resolved Spectroscopy of two-Dimensional Molecular Assemblies. "New Trends in Fluorescence Spectroscopy: Applications to Chemical and Life Sciences" in Springer Series on Fluorescence : Methods and Applications, Eds. O. Wolfbeiss B. Valeur, J.-C. Brochon Eds., (Springer Verlag Heidelberg), pp. 99-125 (27 pages), 2001.

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** Thèmes Transversaux (récapitulatif)2001** Boissel, S.P., Joblin, C. & Pernot., P. (2001) Singular Value Decomposition : a tool to separate elementary contributions in ISOCAM spectral maps, Astronomy and Astrophysics, 373, L5-L8.

** Dubois, V., Archirel, P. & Boutin, A. (2001) Monte carlo simulations of Ag+ and Ag in aqueous solution. Redox potential of the Ag+/Ag couple, J. Phys. Chem. B, 105, (38), 9363.


** Heninger, M., Pernot, P. & Mestdagh, H. (2001) Influence of the internal excitation of FeCO+ on its reactivity with O2 observed in Fourier-transform ICR cell, Chem. Phys. Lett., 333, 358-364.


** Lauvergnat, D., Simon, A. & Maître, P. (2001) Valence bond curve-crossing model of the 1,2-hydrogen shift in HCN and isovalent systems, Chem. Phys. Lett., 350, 345-350.

2002** Le Caër, S., Heninger, M., Pernot, P. & Mestdagh, H. (2002) Successive reactions of iron carbonyl cations with dimethylether : direct cleavage versus rearrangement, Phys. Chem. Chem. Phys., 4, 1855-1865.



2003** Nicolas, C., Boutin, A., Lévy, B. & Borgis, D. (2003) Molecular simulation of a hydrated electron at different temperatures and pressures, J. Chem. Phys., sous presse.


** Tréguer, M., Rémita, H., Pernot, P., Khatouri, J. & Belloni, J. (2001) Redox kinetics of carbonyl platinum clusters studied by pulse radiolysis, J. Phys. Chem. A, 105, 6102-6108.

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