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Results: 1-25/27
Authors:
DUMONT D
HENSSGE E
FISCHER D
BOUGEARD D
Citation: D. Dumont et al., SIMULATION OF VIBRATIONAL-SPECTRA OF POLYMERS BY MOLECULAR-DYNAMICS CALCULATIONS, Macromolecular theory and simulations, 7(3), 1998, pp. 373-379
Authors:
SMIRNOV KS
ERMOSHIN VA
BOUGEARD D
Citation: Ks. Smirnov et al., A CLASSICAL MOLECULAR-DYNAMICS STUDY OF THE VIBRATIONAL DYNAMICS OF THE H C(111)-(1X1) SYSTEM/, Chemical physics, 230(1), 1998, pp. 57-66
Authors:
BOUGEARD D
GAMBA Z
Citation: D. Bougeard et Z. Gamba, THE ORDERED, ORIENTATIONALLY DISORDERED AND GLASSY PHASES OF P4S3, Molecular physics, 94(5), 1998, pp. 815-820
Authors:
FAYE P
PAYEN E
BOUGEARD D
Citation: P. Faye et al., DENSITY-FUNCTIONAL APPROACH OF A GAMMA-ALUMINA SUPPORTED MOS2 HYDROTREATING CATALYST, Journal of catalysis (Print), 179(2), 1998, pp. 560-564
Authors:
ERMOSHIN VA
SMIRNOV KS
BOUGEARD D
Citation: Va. Ermoshin et al., AB-INITIO STUDY OF THE INITIAL STEPS OF HYDROTHERMAL ZEOLITE SYNTHESIS AND OF SOL-GEL PROCESSES, Journal of molecular structure. Theochem, 393, 1997, pp. 171-176
Authors:
DUMONT D
BOUGEARD D
Citation: D. Dumont et D. Bougeard, A MOLECULAR-DYNAMICS STUDY OF METHANE ENCAPSULATED IN DODECASIL 3C, Molecular physics, 91(4), 1997, pp. 643-651
Authors:
ERMOSHIN VA
SMIRNOV KS
BOUGEARD D
Citation: Va. Ermoshin et al., AB-INITIO FORCE-FIELD FOR ALUMINOSILICATES - MOLECULAR-DYNAMICS SIMULATION OF THE INFRARED-SPECTRA OF ZEOLITES, Journal of molecular structure, 410, 1997, pp. 371-374
Authors:
BOUGEARD D
BREMARD C
DUMONT D
LEMAIRE M
MANOLI JM
POTVIN C
Citation: D. Bougeard et al., VIBRATIONAL-SPECTRA AND MOLECULAR-DYNAMICS STUDY OF THE CALCINED (NA+, K+) EMT HEXAGONAL FORMS OF FAUJASITIC ZEOLITES, Journal of molecular structure, 410, 1997, pp. 375-377
Authors:
DUMONT D
BOUGEARD D
Citation: D. Dumont et D. Bougeard, DYNAMICS OF METHANE ENCAPSULATED IN DODECASIL 3C, Journal of molecular structure, 410, 1997, pp. 383-386
Authors:
FAYE P
PAYEN E
BOUGEARD D
Citation: P. Faye et al., MOLECULAR MECHANICS STUDY OF THE INTERACTION OF MOLYBDENUM-DISULFIDE LAYERS WITH A GAMMA-ALUMINA SUPPORT IN HYDROTREATING CATALYSTS, Journal of the Chemical Society. Faraday transactions, 92(13), 1996, pp. 2437-2443
Authors:
ERMOSHIN VA
SMIRNOV KS
BOUGEARD D
Citation: Va. Ermoshin et al., AB-INITIO GENERALIZED VALENCE FORCE-FIELD FOR ZEOLITE MODELING .2. ALUMINOSILICATES, Chemical physics, 209(1), 1996, pp. 41-51
Authors:
ERMOSHIN VA
SMIRNOV KS
BOUGEARD D
Citation: Va. Ermoshin et al., AB-INITIO GENERALIZED VALENCE FORCE-FIELD FOR ZEOLITE MODELING .1. SILICEOUS ZEOLITES, Chemical physics, 202(1), 1996, pp. 53-61
Authors:
ERMOSHIN VA
SMIRNOV KS
BOUGEARD D
Citation: Va. Ermoshin et al., MOLECULAR-DYNAMICS CALCULATION OF THE VIBRATIONAL-SPECTRA OF OH GROUPS IN ZEOLITES AND ON SILICA SURFACES, Surface science, 368, 1996, pp. 147-151
VIBRATIONAL-ENERGY RELAXATION OF ADSORBATE VIBRATIONS - A THEORETICAL-STUDY OF THE H SI(111) SYSTEM/
Authors:
ERMOSHIN VA
KAZANSKY AK
SMIMOV KS
BOUGEARD D
Citation: Va. Ermoshin et al., VIBRATIONAL-ENERGY RELAXATION OF ADSORBATE VIBRATIONS - A THEORETICAL-STUDY OF THE H SI(111) SYSTEM/, The Journal of chemical physics, 105(20), 1996, pp. 9371-9374
Authors:
DUMONT D
BOUGEARD D
Citation: D. Dumont et D. Bougeard, MOLECULAR-DYNAMICAL CALCULATIONS OF THE VIBRATIONAL-SPECTRA OF HYDROCARBONS ADSORBED IN SILICALITE, SPECT ACT A, 51(10), 1995, pp. 1671-1682
Authors:
BOUGEARD D
BURIE JR
DAO NQ
HENNION B
Citation: D. Bougeard et al., LATTICE DYNAMICAL STUDY OF A INTERNAL CHARGE-TRANSFER MOLECULAR-CRYSTAL - 4-NITROPYRIDINE N-OXIDE AND ITS DEUTERATED DERIVATIVE, SPECT ACT A, 51(1), 1995, pp. 21-31
Authors:
BREMARD C
BOUGEARD D
Citation: C. Bremard et D. Bougeard, RAMAN-SCATTERING IN ZEOLITES AND MOLECULAR-SIEVES, Advanced materials, 7(1), 1995, pp. 10-25
Authors:
DUMONT D
BOUGEARD D
Citation: D. Dumont et D. Bougeard, A MOLECULAR-DYNAMICS STUDY OF HYDROCARBONS ADSORBED IN SILICALITE, Zeolites, 15(7), 1995, pp. 650-655
Authors:
BOUGEARD D
VERMEULEN JP
BAUDOIN B
Citation: D. Bougeard et al., MEASUREMENT OF TEMPERATURE-FIELD ON HEAT- EXCHANGER FIN USING INFRARED THERMOGRAPHY - USE OF A DIGITAL RESTORATION TECHNIQUE, Revue générale de thermique, 34(400-01), 1995, pp. 325-334
Authors:
SMIRNOV KS
BOUGEARD D
Citation: Ks. Smirnov et D. Bougeard, MOLECULAR-DYNAMICAL CALCULATION OF VIBRATIONAL-SPECTRA APPLICATION TOZEOLITES, Journal of molecular structure, 348, 1995, pp. 155-158
Authors:
BOUGEARD D
BREMARD C
DEJAEGER R
LEMMOUCHI Y
Citation: D. Bougeard et al., CONFORMATIONAL STABILITY AND FORCE-FIELD OF POLYPHOSPHAZENES - MNDO CALCULATIONS, VIBRATIONAL-SPECTRA AND NORMAL-COORDINATE ANALYSES OF [NP(R)2]N (R = CL, OCH2CF3, OC6H5), Macromolecular chemistry and physics, 195(1), 1994, pp. 105-118
Authors:
SMIRNOV KS
LEMARIE M
BREMARD C
BOUGEARD D
Citation: Ks. Smirnov et al., VIBRATIONAL-SPECTRA OF CATION-EXCHANGED ZEOLITE-A - EXPERIMENTAL AND MOLECULAR-DYNAMICS STUDY, Chemical physics, 179(3), 1994, pp. 445-454
Authors:
SMIRNOV KS
BOUGEARD D
Citation: Ks. Smirnov et D. Bougeard, A MOLECULAR-DYNAMICS COMPUTER STUDY OF WINDOW FLUCTUATIONS IN ZEOLITE-A, Zeolites, 14(3), 1994, pp. 203-207
Authors:
SCHROETTER S
BOUGEARD D
Citation: S. Schroetter et D. Bougeard, THE PHASE-BEHAVIOR OF 1,1,1-TRIS-(HYDROXYMETHYL)-PROPANE, 2-ETHYL,-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL, STUDIED BY CALORIMETRY AND VIBRATIONAL SPECTROSCOPY, Journal de chimie physique et de physico-chimie biologique, 90(9), 1993, pp. 1813-1827
Authors:
BOUGEARD D
BREMARD C
DEJAEGER R
LEMMOUCHI Y
Citation: D. Bougeard et al., LINEAR SHORT-CHAIN CHLOROPHOSPHAZENES - SYNTHESES, P-31, N-15-NMR ANDRAMAN-SCATTERING CHARACTERIZATIONS, Phosphorus, sulfur and silicon and the related elements, 79(1-4), 1993, pp. 147-159