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Results: 1-10 |
Results: 10
COOPERATIVE EFFECTS IN WATER TETRAMERS - COMPARISON BETWEEN THE EMPIRICAL MANY-BODY MODEL TCPE AND AB-INITIO CALCULATIONS
Authors: MASELLA M
Citation: M. Masella, COOPERATIVE EFFECTS IN WATER TETRAMERS - COMPARISON BETWEEN THE EMPIRICAL MANY-BODY MODEL TCPE AND AB-INITIO CALCULATIONS, COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE, 1(7), 1998, pp. 441-447
A THEORETICAL-STUDY OF NONADDITIVE EFFECTS IN 4 WATER TETRAMERS
Authors: MASELLA M GRESH N FLAMENT JP
Citation: M. Masella et al., A THEORETICAL-STUDY OF NONADDITIVE EFFECTS IN 4 WATER TETRAMERS, Journal of the Chemical Society. Faraday transactions (Print), 94(18), 1998, pp. 2745-2753
A MANY-BODY MODEL FOR ALCOHOLS - APPLICATIONS TO THE CYCLIC METHANOL WATER HETERO TRIMERS, AND TO THE (METHANOL)(N), (ETHANOL)(N) AND (T-BUTANOL)(N) CYCLIC CLUSTERS (N = 2-6)/
Authors: MASELLA M FLAMENT JP
Citation: M. Masella et Jp. Flament, A MANY-BODY MODEL FOR ALCOHOLS - APPLICATIONS TO THE CYCLIC METHANOL WATER HETERO TRIMERS, AND TO THE (METHANOL)(N), (ETHANOL)(N) AND (T-BUTANOL)(N) CYCLIC CLUSTERS (N = 2-6)/, Molecular physics, 95(1), 1998, pp. 97-106
RELATION BETWEEN COOPERATIVE EFFECTS IN CYCLIC WATER, METHANOL WATER,AND METHANOL TRIMERS AND HYDROGEN-BONDS IN METHANOL/WATER, ETHANOL/WATER, AND DIMETHYLETHER/WATER HETERODIMERS/
Authors: MASELLA M FLAMENT JP
Citation: M. Masella et Jp. Flament, RELATION BETWEEN COOPERATIVE EFFECTS IN CYCLIC WATER, METHANOL WATER,AND METHANOL TRIMERS AND HYDROGEN-BONDS IN METHANOL/WATER, ETHANOL/WATER, AND DIMETHYLETHER/WATER HETERODIMERS/, The Journal of chemical physics, 108(17), 1998, pp. 7141-7151
AN AB-INITIO STUDY OF 3 (ETHANE-1,2 DIOL WATER) COMPLEXES/
Authors: MANIVET P MASELLA M
Citation: P. Manivet et M. Masella, AN AB-INITIO STUDY OF 3 (ETHANE-1,2 DIOL WATER) COMPLEXES/, Chemical physics letters, 288(5-6), 1998, pp. 642-646
CAN THE OH STRETCH VIBRATIONAL-SPECTRA OF (H2O)(N) CLUSTER (N = 1-6) BE ESTIMATED FROM AN EMPIRICAL MANY-BODY MODEL AND A POLYNOMIAL OH STRETCH POTENTIAL
Authors: MASELLA M FLAMENT JP
Citation: M. Masella et Jp. Flament, CAN THE OH STRETCH VIBRATIONAL-SPECTRA OF (H2O)(N) CLUSTER (N = 1-6) BE ESTIMATED FROM AN EMPIRICAL MANY-BODY MODEL AND A POLYNOMIAL OH STRETCH POTENTIAL, Chemical physics letters, 286(1-2), 1998, pp. 177-182
A NEW ANISOTROPIC FORCE-FIELD FOR HYDROGEN-BONDING .3. A SIMPLE SOLVATION MODEL FOR ETHANE-1,2-DIOL
Authors: MASELLA M FLAMENT JP
Citation: M. Masella et Jp. Flament, A NEW ANISOTROPIC FORCE-FIELD FOR HYDROGEN-BONDING .3. A SIMPLE SOLVATION MODEL FOR ETHANE-1,2-DIOL, Bulletin de la Societe chimique de France, 134(5), 1997, pp. 439-449
A PAIRWISE AND 2 MANY-BODY MODELS FOR WATER - INFLUENCE OF NONPAIRWISE EFFECTS UPON THE STABILITY AND GEOMETRY OF (H2O)(N) CYCLIC (N=3-6) AND CAGE-LIKE (N=6-20) CLUSTERS
Authors: MASELLA M FLAMENT JP
Citation: M. Masella et Jp. Flament, A PAIRWISE AND 2 MANY-BODY MODELS FOR WATER - INFLUENCE OF NONPAIRWISE EFFECTS UPON THE STABILITY AND GEOMETRY OF (H2O)(N) CYCLIC (N=3-6) AND CAGE-LIKE (N=6-20) CLUSTERS, The Journal of chemical physics, 107(21), 1997, pp. 9105-9116
A NEW ANISOTROPIC FORCE-FIELD TO MODEL HY DROGEN-BONDING .2. APPLICATION TO ALCOHOLS AND ETHEROXIDES
Authors: MASELLA M LEFOUR JM FLAMENT JP
Citation: M. Masella et al., A NEW ANISOTROPIC FORCE-FIELD TO MODEL HY DROGEN-BONDING .2. APPLICATION TO ALCOHOLS AND ETHEROXIDES, Bulletin de la Societe chimique de France, 133(4), 1996, pp. 405-415
A NEW ANISOTROPIC FORCE-YIELD FOR THE HYD ROGEN-BOND - STUDY OF WATERCLUSTERS
Authors: MASELLA M LEFOUR JM FLAMENT JP
Citation: M. Masella et al., A NEW ANISOTROPIC FORCE-YIELD FOR THE HYD ROGEN-BOND - STUDY OF WATERCLUSTERS, Bulletin de la Societe chimique de France, 132(2), 1995, pp. 224-232
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