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Results: 1-16 |
Results: 16
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
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
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 new intermolecular polarizable potential for cis-formic acid. Introduction of many-body interactions in condensed phases
Authors: Ramon, JMH Rios, MA
Citation: Jmh. Ramon et Ma. Rios, A new intermolecular polarizable potential for cis-formic acid. Introduction of many-body interactions in condensed phases, CHEM PHYS, 250(2), 1999, pp. 155-169
Intramolecular proton transfer in 2-(2 '-hydroxyphenyl)benzoxazole: the reliability of ab initio calculations on simplified structures
Authors: Fernandez-Ramos, A Rodriguez-Otero, J Rios, MA Soto, J
Citation: A. Fernandez-ramos et al., Intramolecular proton transfer in 2-(2 '-hydroxyphenyl)benzoxazole: the reliability of ab initio calculations on simplified structures, THEOCHEM, 489(2-3), 1999, pp. 255-262
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
Direct-dynamics approaches to proton tunneling rate constants. A comparative test for molecular inversions and an application to 7-azaindole tautomerization
Authors: Fernandez-Ramos, A Smedarchina, Z Siebrand, W Zgierski, MZ Rios, MA
Citation: A. Fernandez-ramos et al., Direct-dynamics approaches to proton tunneling rate constants. A comparative test for molecular inversions and an application to 7-azaindole tautomerization, J AM CHEM S, 121(26), 1999, pp. 6280-6289
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
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
The effect of age and sex on copper and zinc content in various organs of Meriones unguiculatus
Authors: Rios, MA Diez, MI Cano, MJ Perez, CC Garcia, MB Garcia-Partida, P
Citation: Ma. Rios et al., The effect of age and sex on copper and zinc content in various organs of Meriones unguiculatus, MET ION BIO, 5, 1998, pp. 248-252
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