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Results: 1-20 |
Results: 20
CAPTURING THE CONCENTRATION-DEPENDENCE OF TRANS-2-BUTENE DIFFUSION INSILICALITE-2 ZEOLITE WITH A JUMP DIFFUSION-MODEL
Authors: JOUSSE F AUERBACH SM VERCAUTEREN DP
Citation: F. Jousse et al., CAPTURING THE CONCENTRATION-DEPENDENCE OF TRANS-2-BUTENE DIFFUSION INSILICALITE-2 ZEOLITE WITH A JUMP DIFFUSION-MODEL, JOURNAL OF PHYSICAL CHEMISTRY B, 102(34), 1998, pp. 6507-6514
COMPARISON OF BENZODIAZEPINE-LIKE COMPOUNDS USING TOPOLOGICAL ANALYSIS AND GENETIC ALGORITHMS
Authors: MEURICE N LEHERTE L VERCAUTEREN DP
Citation: N. Meurice et al., COMPARISON OF BENZODIAZEPINE-LIKE COMPOUNDS USING TOPOLOGICAL ANALYSIS AND GENETIC ALGORITHMS, SAR and QSAR in environmental research (Print), 8(3-4), 1998, pp. 195
APPROXIMATIONS OF THE MULLIKEN CHARGES FOR THE OXYGEN AND SILICON ATOMS OF ZEOLITE FRAMEWORKS CALCULATED WITH A PERIODIC HARTREE-FOCK SCHEME
Authors: LARIN AV VERCAUTEREN DP
Citation: Av. Larin et Dp. Vercauteren, APPROXIMATIONS OF THE MULLIKEN CHARGES FOR THE OXYGEN AND SILICON ATOMS OF ZEOLITE FRAMEWORKS CALCULATED WITH A PERIODIC HARTREE-FOCK SCHEME, International journal of quantum chemistry, 70(4-5), 1998, pp. 993-1001
APPROXIMATION OF THE MULLIKEN-TYPE CHARGES FOR THE OXYGEN-ATOMS OF ALL-SILICEOUS ZEOLITES
Authors: LARIN AV LEHERTE L VERCAUTEREN DP
Citation: Av. Larin et al., APPROXIMATION OF THE MULLIKEN-TYPE CHARGES FOR THE OXYGEN-ATOMS OF ALL-SILICEOUS ZEOLITES, Chemical physics letters, 287(1-2), 1998, pp. 169-177
CRITICAL-POINT ANALYSIS OF CALCULATED ELECTRON-DENSITY MAPS AT MEDIUMRESOLUTION - APPLICATION TO SHAPE-ANALYSIS OF ZEOLITE-LIKE SYSTEMS
Authors: LEHERTE L VERCAUTEREN DP
Citation: L. Leherte et Dp. Vercauteren, CRITICAL-POINT ANALYSIS OF CALCULATED ELECTRON-DENSITY MAPS AT MEDIUMRESOLUTION - APPLICATION TO SHAPE-ANALYSIS OF ZEOLITE-LIKE SYSTEMS, JOURNAL OF MOLECULAR MODELING, 3(4), 1997, pp. 156-171
ANALYSIS OF MD TRAJECTORIES AS A JUMP DIFFUSION PROCESS - BUTENE ISOMERS IN ZEOLITE TYPES TON AND MEL
Authors: JOUSSE F LEHERTE L VERCAUTEREN DP
Citation: F. Jousse et al., ANALYSIS OF MD TRAJECTORIES AS A JUMP DIFFUSION PROCESS - BUTENE ISOMERS IN ZEOLITE TYPES TON AND MEL, JOURNAL OF PHYSICAL CHEMISTRY B, 101(24), 1997, pp. 4717-4732
ENERGETICS AND DIFFUSION OF BUTENE ISOMERS IN CHANNEL ZEOLITES FROM MOLECULAR-DYNAMICS SIMULATIONS
Authors: JOUSSE F LEHERTE L VERCAUTEREN DP
Citation: F. Jousse et al., ENERGETICS AND DIFFUSION OF BUTENE ISOMERS IN CHANNEL ZEOLITES FROM MOLECULAR-DYNAMICS SIMULATIONS, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 165-176
THEORETICAL ESTIMATION OF THE VIBRATIONAL PERTURBATION OF THE MOLECULAR-PROPERTIES OF HYDROGEN ADSORBED WITHIN A ZEOLITE-A FRAMEWORK
Authors: LARIN AV JOUSSE F LEHERTE L VERCAUTEREN DP
Citation: Av. Larin et al., THEORETICAL ESTIMATION OF THE VIBRATIONAL PERTURBATION OF THE MOLECULAR-PROPERTIES OF HYDROGEN ADSORBED WITHIN A ZEOLITE-A FRAMEWORK, Chemical physics letters, 274(4), 1997, pp. 345-353
SIMILARITY AND COMPLEMENTARITY OF MOLECULAR SHAPES - APPLICABILITY OFA TOPOLOGICAL ANALYSIS APPROACH
Authors: LEHERTE L LATOUR T VERCAUTEREN DP
Citation: L. Leherte et al., SIMILARITY AND COMPLEMENTARITY OF MOLECULAR SHAPES - APPLICABILITY OFA TOPOLOGICAL ANALYSIS APPROACH, Journal of computer-aided molecular design, 10(1), 1996, pp. 55-66
MOLECULAR MECHANICAL INVESTIGATION OF THE ENERGETICS OF BUTENE SORBEDIN H-FERRIERITE
Authors: JOUSSE F LEHERTE L VERCAUTEREN DP
Citation: F. Jousse et al., MOLECULAR MECHANICAL INVESTIGATION OF THE ENERGETICS OF BUTENE SORBEDIN H-FERRIERITE, Molecular simulation, 17(3), 1996, pp. 175-196
STEREOELECTRONIC REQUIREMENTS OF BENZAMIDE 5HT(3) ANTAGONISTS - COMPARISON WITH D-2 ANTIDOPAMINERGIC ANALOGS
Authors: COLLIN S MOUREAU F QUINTERO MG VERCAUTEREN DP EVRARD G DURANT F
Citation: S. Collin et al., STEREOELECTRONIC REQUIREMENTS OF BENZAMIDE 5HT(3) ANTAGONISTS - COMPARISON WITH D-2 ANTIDOPAMINERGIC ANALOGS, Perkin transactions. 2, (1), 1995, pp. 77-84
A REVERSIBLE MONOAMINE-OXIDASE INHIBITOR TOLOXATONE - COMPARISON OF ITS PHYSICOCHEMICAL PROPERTIES WITH THOSE OF OTHER INHIBITORS INCLUDINGBROFAROMINE, HARMINE, R40519 AND MOCLOBEMIDE
Authors: MOUREAU F WOUTERS J DEPAS M VERCAUTEREN DP DURANT F DUCREY F KOENIG JJ JARREAU FX
Citation: F. Moureau et al., A REVERSIBLE MONOAMINE-OXIDASE INHIBITOR TOLOXATONE - COMPARISON OF ITS PHYSICOCHEMICAL PROPERTIES WITH THOSE OF OTHER INHIBITORS INCLUDINGBROFAROMINE, HARMINE, R40519 AND MOCLOBEMIDE, European journal of medicinal chemistry, 30(11), 1995, pp. 823-838
EXPERIMENTAL AND THEORETICAL-STUDY OF REVERSIBLE MONOAMINE-OXIDASE INHIBITORS - STRUCTURAL APPROACH OF THE ACTIVE-SITE OF THE ENZYME
Authors: WOUTERS J MOUREAU F VERCAUTEREN DP EVRARD G DURANT F KOENIG JJ DUCREY F JARREAU FX
Citation: J. Wouters et al., EXPERIMENTAL AND THEORETICAL-STUDY OF REVERSIBLE MONOAMINE-OXIDASE INHIBITORS - STRUCTURAL APPROACH OF THE ACTIVE-SITE OF THE ENZYME, Journal of neural transmission. Supplementum, (41), 1994, pp. 313-319
A REVERSIBLE MONOAMINE-OXIDASE INHIBITOR, TOLOXATONE - SPECTROPHOTOMETRIC AND MOLECULAR-ORBITAL STUDIES OF THE INTERACTION WITH FLAVIN ADENINE-DINUCLEOTIDE (FAD)
Authors: MOUREAU F WOUTERS J VERCAUTEREN DP COLLIN S EVRARD G DURANT F DUCREY F KOENIG JJ JARREAU FX
Citation: F. Moureau et al., A REVERSIBLE MONOAMINE-OXIDASE INHIBITOR, TOLOXATONE - SPECTROPHOTOMETRIC AND MOLECULAR-ORBITAL STUDIES OF THE INTERACTION WITH FLAVIN ADENINE-DINUCLEOTIDE (FAD), European journal of medicinal chemistry, 29(4), 1994, pp. 269-277
1-[[4-(AMINOALKOXY)PHENYL]SULFONYL]INDOLIZINES - A NOVEL CLASS OF CALCIUM-ENTRY BLOCKERS - RELATIONSHIPS BETWEEN CHEMICAL-STRUCTURE, STEREOELECTRONIC PROPERTIES AND ANTICALCIC ACTIVITY
Authors: POTY C GIBON V EVRARD G NORBERG B VERCAUTEREN DP GUBIN J CHATELAIN P DURANT F
Citation: C. Poty et al., 1-[[4-(AMINOALKOXY)PHENYL]SULFONYL]INDOLIZINES - A NOVEL CLASS OF CALCIUM-ENTRY BLOCKERS - RELATIONSHIPS BETWEEN CHEMICAL-STRUCTURE, STEREOELECTRONIC PROPERTIES AND ANTICALCIC ACTIVITY, European journal of medicinal chemistry, 29(12), 1994, pp. 911-923
MOLECULAR-STRUCTURE AND ELECTRONIC-PROPERTIES OF A 1-SULFONYLINDOLIZINE DERIVATIVE, 2-ISOPROPYL-1-METHYLSULFONYLINDOLIZINE
Authors: GIBON V POTY C EVRARD G VERCAUTEREN DP DURANT F
Citation: V. Gibon et al., MOLECULAR-STRUCTURE AND ELECTRONIC-PROPERTIES OF A 1-SULFONYLINDOLIZINE DERIVATIVE, 2-ISOPROPYL-1-METHYLSULFONYLINDOLIZINE, Acta crystallographica. Section C, Crystal structure communications, 50, 1994, pp. 1749-1753
CONFORMATIONAL-ANALYSES OF THE POLYMORPHISM OF TRIGLYCERIDES
Authors: CULOT C DURANT F MOSLEY DH ANDRE JM VERCAUTEREN DP
Citation: C. Culot et al., CONFORMATIONAL-ANALYSES OF THE POLYMORPHISM OF TRIGLYCERIDES, International journal of quantum chemistry, 1994, pp. 57-77
CRYSTAL-STRUCTURES OF BACLOFEN ANALOGS - 3-THIENYLAMINOBUTYRIC AND 3-FURYLAMINOBUTYRIC ACIDS
Authors: PIRARD B EVRARD G NORBERG B BERTHELOT P VACCHER C DEBAERT M VERCAUTEREN DP DURANT F
Citation: B. Pirard et al., CRYSTAL-STRUCTURES OF BACLOFEN ANALOGS - 3-THIENYLAMINOBUTYRIC AND 3-FURYLAMINOBUTYRIC ACIDS, Journal of crystallographic and spectroscopic research, 23(11), 1993, pp. 843-848
CHARACTERIZATION OF THE PHYSICOCHEMICAL PROPERTIES OF THE IMIDAZOPYRIDINE DERIVATIVE ALPIDEM - COMPARISON WITH ZOLPIDEM
Authors: GEORGES GJ VERCAUTEREN DP EVRARD GH DURANT FV GEORGE PG WICK AE
Citation: Gj. Georges et al., CHARACTERIZATION OF THE PHYSICOCHEMICAL PROPERTIES OF THE IMIDAZOPYRIDINE DERIVATIVE ALPIDEM - COMPARISON WITH ZOLPIDEM, European journal of medicinal chemistry, 28(4), 1993, pp. 323-335
CONFORMATIONAL DISTRIBUTION OF BACLOFEN ANALOGS BY H-1 AND C-13 NMR ANALYSIS AND AB-INITIO HF MO STO-3G OR STO-3G-ASTERISK CALCULATIONS
Authors: VACCHER C BERTHELOT P DEBAERT M VERMEERSCH G GUYON R PIRARD B VERCAUTEREN DP DORY M EVRARD G DURANT F
Citation: C. Vaccher et al., CONFORMATIONAL DISTRIBUTION OF BACLOFEN ANALOGS BY H-1 AND C-13 NMR ANALYSIS AND AB-INITIO HF MO STO-3G OR STO-3G-ASTERISK CALCULATIONS, Journal of molecular structure, 301, 1993, pp. 199-210
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