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Results: 1-15 |
Results: 15
ADVANTAGES AND DRAWBACKS OF THE QUANTUM-CHEMISTRY METHODOLOGY IN PREDICTING THE THERMOCHEMICAL DATA OF LANTHANIDE TRIHALIDE MOLECULES
Authors: JOUBERT L PICARD G LEGENDRE JJ
Citation: L. Joubert et al., ADVANTAGES AND DRAWBACKS OF THE QUANTUM-CHEMISTRY METHODOLOGY IN PREDICTING THE THERMOCHEMICAL DATA OF LANTHANIDE TRIHALIDE MOLECULES, Journal of alloys and compounds, 277, 1998, pp. 934-939
MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON GASTRINRECEPTORS
Authors: HUCHE M LEGENDRE JJ
Citation: M. Huche et Jj. Legendre, MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON GASTRINRECEPTORS, Chemometrics and intelligent laboratory systems, 41(1), 1998, pp. 43-56
MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON CEREBRAL RECEPTORS
Authors: HUCHE M CENSE JM LEGENDRE JJ
Citation: M. Huche et al., MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON CEREBRAL RECEPTORS, Journal of molecular structure. Theochem, 453, 1998, pp. 97-105
STRUCTURAL AND THERMOCHEMICAL AB-INITIO STUDIES OF LANTHANIDE TRIHALIDE MOLECULES WITH PSEUDOPOTENTIALS
Authors: JOUBERT L PICARD G LEGENDRE JJ
Citation: L. Joubert et al., STRUCTURAL AND THERMOCHEMICAL AB-INITIO STUDIES OF LANTHANIDE TRIHALIDE MOLECULES WITH PSEUDOPOTENTIALS, Inorganic chemistry, 37(8), 1998, pp. 1984-1991
MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON PANCREATIC RECEPTORS
Authors: HUCHE M LEGENDRE JJ
Citation: M. Huche et Jj. Legendre, MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON PANCREATIC RECEPTORS, Quantitative structure-activity relationships, 16(6), 1997, pp. 435-446
COMPUTATIONAL EVIDENCE OF COMPLEXES IN STRUCTURAL MODELS OF MELTS DERIVING FROM NEUTRON-DIFFRACTION DATA
Authors: MOURON L ROULLET G LEGENDRE JJ PICARD G
Citation: L. Mouron et al., COMPUTATIONAL EVIDENCE OF COMPLEXES IN STRUCTURAL MODELS OF MELTS DERIVING FROM NEUTRON-DIFFRACTION DATA, Computers & chemistry, 21(6), 1997, pp. 431-435
COMPUTATIONAL AND ANALYTICAL-CHEMISTRY - METHODOLOGY TO STUDY CHEMICAL-REACTIONS BETWEEN SODIUM, CALCIUM, AND ALUMINUM FLUORIDES IN MOLTEN CRYOLITE
Authors: BOUYER F PICARD G LEGENDRE JJ
Citation: F. Bouyer et al., COMPUTATIONAL AND ANALYTICAL-CHEMISTRY - METHODOLOGY TO STUDY CHEMICAL-REACTIONS BETWEEN SODIUM, CALCIUM, AND ALUMINUM FLUORIDES IN MOLTEN CRYOLITE, International journal of quantum chemistry, 61(3), 1997, pp. 507-514
GEOMETRICAL ANALYSIS OF THE VOIDS IN STRUCTURAL MODELS OF MOLTEN-SALTS
Authors: MOURON L ROULLET G LEGENDRE JJ PICARD G
Citation: L. Mouron et al., GEOMETRICAL ANALYSIS OF THE VOIDS IN STRUCTURAL MODELS OF MOLTEN-SALTS, Computers & chemistry, 20(2), 1996, pp. 227-233
COMPUTATIONAL CHEMISTRY - A WAY TO REACH SPECTROSCOPIC AND THERMODYNAMIC DATA FOR EXOTIC COMPOUNDS
Authors: BOUYER F PICARD G LEGENDRE JJ
Citation: F. Bouyer et al., COMPUTATIONAL CHEMISTRY - A WAY TO REACH SPECTROSCOPIC AND THERMODYNAMIC DATA FOR EXOTIC COMPOUNDS, Journal of chemical information and computer sciences, 36(4), 1996, pp. 684-693
PREDICTION OF THE IMPACT SENSITIVITY BY NEURAL NETWORKS
Authors: NEFATI H CENSE JM LEGENDRE JJ
Citation: H. Nefati et al., PREDICTION OF THE IMPACT SENSITIVITY BY NEURAL NETWORKS, Journal of chemical information and computer sciences, 36(4), 1996, pp. 804-810
DENSITY-FUNCTIONAL CALCULATIONS FOR PREDICTING STRUCTURES AND VIBRATIONAL FREQUENCIES OF ALUMINUM CHLORIDE-FLUORIDE COMPLEXES
Authors: BOUYER F PICARD G LEGENDRE JJ
Citation: F. Bouyer et al., DENSITY-FUNCTIONAL CALCULATIONS FOR PREDICTING STRUCTURES AND VIBRATIONAL FREQUENCIES OF ALUMINUM CHLORIDE-FLUORIDE COMPLEXES, Journal of molecular structure. Theochem, 330, 1995, pp. 217-222
STRUCTURAL, ENERGETIC AND VIBRATIONAL STU DIES ON AL(III)-CL(-I)-F(-I) COMPLEXES BASED ON LDF CALCULATIONS
Authors: BOUYER F PICARD G LEGENDRE JJ
Citation: F. Bouyer et al., STRUCTURAL, ENERGETIC AND VIBRATIONAL STU DIES ON AL(III)-CL(-I)-F(-I) COMPLEXES BASED ON LDF CALCULATIONS, Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie, 318(4), 1994, pp. 455-460
A NEW METHOD FOR THE STRUCTURAL MODELING OF DISORDERED COMPOUNDS - APPLICATION TO MOLTEN NACL
Authors: MOURON L GRANDJEAN S LEGENDRE JJ PICARD G
Citation: L. Mouron et al., A NEW METHOD FOR THE STRUCTURAL MODELING OF DISORDERED COMPOUNDS - APPLICATION TO MOLTEN NACL, Computers & chemistry, 18(1), 1994, pp. 5-11
MOLECULAR MODELING OF REGIOSELECTIVITY OF GLYCIDIC ACID OPENING REACTIONS BY ALIPHATIC-AMINES
Authors: GROSJEAN F HUCHE M LARCHEVEQUE M LEGENDRE JJ PETIT Y
Citation: F. Grosjean et al., MOLECULAR MODELING OF REGIOSELECTIVITY OF GLYCIDIC ACID OPENING REACTIONS BY ALIPHATIC-AMINES, Tetrahedron, 50(31), 1994, pp. 9325-9334
GEOMETRICAL AND SPECTROSCOPICAL CHARACTERIZATIONS OF SOME COMPLEX ENTITIES OF ALUMINUM(III) WITH FLUORIDE IONS BY LDF-BASED CALCULATIONS
Authors: BOUYER F PICARD G LEGENDRE JJ
Citation: F. Bouyer et al., GEOMETRICAL AND SPECTROSCOPICAL CHARACTERIZATIONS OF SOME COMPLEX ENTITIES OF ALUMINUM(III) WITH FLUORIDE IONS BY LDF-BASED CALCULATIONS, International journal of quantum chemistry, 52(4), 1994, pp. 927-934
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