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Results: 1-13 |
Results: 13
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
Ab initio study of M(CH3CN)(n) clusters (M = Li+, Na+, Mg2+) in the gas phase
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, Ab initio study of M(CH3CN)(n) clusters (M = Li+, Na+, Mg2+) in the gas phase, CHEM PHYS, 254(1), 2000, pp. 11-23
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
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
An ab initio study of the interaction in dimethylamine dimer and trimer
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, An ab initio study of the interaction in dimethylamine dimer and trimer, J CHEM PHYS, 113(21), 2000, pp. 9523-9531
Ab initio study of interactions in methylamine clusters. The significance of cooperative effects
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, Ab initio study of interactions in methylamine clusters. The significance of cooperative effects, J CHEM PHYS, 112(5), 2000, pp. 2155-2163
Ab initio study of interactions in hydrazine clusters of one to four molecules: Cooperativity in the interaction
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, Ab initio study of interactions in hydrazine clusters of one to four molecules: Cooperativity in the interaction, J PHYS CH A, 103(32), 1999, pp. 6468-6474
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
Intermolecular potential for acetonitrile based on ab initio calculations
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, Intermolecular potential for acetonitrile based on ab initio calculations, MOLEC PHYS, 96(3), 1999, pp. 309-321
Development of an intermolecular potential function for interactions in formamide clusters based on ab initio calculations
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, Development of an intermolecular potential function for interactions in formamide clusters based on ab initio calculations, J CHEM PHYS, 110(14), 1999, pp. 6782-6791
A cooperative mechanism as the main source of the marked structural differences between solid and gaseous HCN center dot center dot center dot BF3 (vol 294, pg 272, 1998)
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, A cooperative mechanism as the main source of the marked structural differences between solid and gaseous HCN center dot center dot center dot BF3 (vol 294, pg 272, 1998), CHEM P LETT, 299(3-4), 1999, pp. 358-358
A potential function for describing intermolecular interactions in the hydroxylamine dimer
Authors: Cabaleiro-Lago, EM Rios, MA
Citation: Em. Cabaleiro-lago et Ma. Rios, A potential function for describing intermolecular interactions in the hydroxylamine dimer, J PHYS CH A, 102(50), 1998, pp. 10358-10365
Risultati: 1-13 |