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Results: 1-10 |
Results: 10
AIM characterization of hydrogen bonds in dimers of methoxymethane
Authors: Vila, A Mosquera, RA Hermida-Ramon, JM
Citation: A. Vila et al., AIM characterization of hydrogen bonds in dimers of methoxymethane, J MOL ST-TH, 541, 2001, pp. 149-158
Ab initio molecular analysis of dimethyl ether dimer. Thermodynamic properties
Authors: Hermida-Ramon, JM Rios, MA
Citation: Jm. Hermida-ramon et Ma. Rios, Ab initio molecular analysis of dimethyl ether dimer. Thermodynamic properties, THEOR CH AC, 105(1), 2000, pp. 1-6
An ab initio polarizable intermolecular potential for dimethyl ether: application to liquid simulations
Authors: Hermida-Ramon, JM Rios, MA
Citation: Jm. Hermida-ramon et Ma. Rios, An ab initio polarizable intermolecular potential for dimethyl ether: application to liquid simulations, CHEM PHYS, 262(2-3), 2000, pp. 423-436
The study of A(CH3OH)(1-6) (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process
Authors: Garcia-Muruais, A Cabaleiro-Lago, EM Hermida-Ramon, JM Rios, MA
Citation: A. Garcia-muruais et al., The study of A(CH3OH)(1-6) (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process, CHEM PHYS, 254(2-3), 2000, pp. 109-123
Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study
Authors: Cabaleiro-Lago, EM Hermida-Ramon, JM Pena-Gallego, A Martinez-Nunez, E Fernandez-Ramos, A
Citation: Em. Cabaleiro-lago et al., Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study, J MOL ST-TH, 498, 2000, pp. 21-28
DFT conformational study of cysteine in gas phase and aqueous solution
Authors: Fernandez-Ramos, A Cabaleiro-Lago, E Hermida-Ramon, JM Martinez-Nunez, E Pena-Gallego, A
Citation: A. Fernandez-ramos et al., DFT conformational study of cysteine in gas phase and aqueous solution, J MOL ST-TH, 498, 2000, pp. 191-200
A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis
Authors: Hermida-Ramon, JM Pena-Gallego, A Martinez-Nunez, E Fernandez-Ramos, A Cabaleiro-Lago, EM
Citation: Jm. Hermida-ramon et al., A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis, J MOL ST-TH, 497, 2000, pp. 105-113
A DFT study of a model compound of vitamin D
Authors: Martinez-Nunez, E Cabaleiro-Lago, EM Fernandez-Ramos, A Hermida-Ramon, JM Pena-Gallego, A
Citation: E. Martinez-nunez et al., A DFT study of a model compound of vitamin D, J MOL ST-TH, 492, 1999, pp. 143-150
An ab initio study of a model compound of penicillins
Authors: Pena-Gallego, A Cabaleiro-Lago, EM Fernandez-Ramos, A Hermida-Ramon, JM Martinez-Nunez, E
Citation: A. Pena-gallego et al., An ab initio study of a model compound of penicillins, J MOL ST-TH, 491, 1999, pp. 177-185
A new intermolecular polarizable potential for a formaldehyde dimer. Application to liquid simulations
Authors: Hermida-Ramon, JM Rios, MA
Citation: Jm. Hermida-ramon et Ma. Rios, A new intermolecular polarizable potential for a formaldehyde dimer. Application to liquid simulations, J PHYS CH A, 102(52), 1998, pp. 10818-10827
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