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Now showing items 1-10 of 16

Artículo

Introduction of external field effects in the frontier molecular orbital theory of chemical reactivity

Mendizábal Emaldía, Fernando; Contreras Ramos, Renato; Aizman, Arie (1992)

Artículo

The electronic chemical potential as a basis for a cluster model approximation for intercalation of Li in 1T - TiS2

Mendizábal Emaldía, Fernando; Contreras Ramos, Renato; Aizman, Arie (1995)

Artículo

Theoretical study of lithium‐fluoride and lithium‐chloride ion pairs in aqueous solution. An SCF‐CNDO/2 approach including continuum solvent effects

Gómez Jeria, Juan; Contreras Ramos, Renato (1986)

Artículo

Theoretical study of solvent effects in the 1,3 rearrangement in the allyl–fluoride system in polar media

Padilla Campos, Luis; Contreras Ramos, Renato; Aizman, Arie (1989)

Artículo

Ion solvation from isoelectronic processes at the nucleus

Contreras Ramos, Renato (1994)

Artículo

Theoretical study of the C‐ vs. O‐Acylation of metal enolates. Frontier molecular orbital analysis including solvent effects

Saragoni, Victor G.; Contreras Ramos, Renato; Aizman, Arie (1993)

Artículo

Theory of molecular orbital energy shifting induced by electrostatic external effects

Contreras Ramos, Renato; Aizman, Arie (1990)

Artículo

Ion solvation energies from density functional theory

Contreras Ramos, Renato; Aizman, Arie (1991)

Artículo

Quantum chemical calculations on ion pairs. II. Structure of haloacetic acids in aqueous solution

Contreras Ramos, Renato; Aizman, Arie; Morales, Demian; Llanos, Maria E. (1987)

Artículo

Electrostatic contributions to thermodynamic properties of aqueous ions from electrostatic potentials defined in the context of density functional theory

Contreras Ramos, Renato; Aizman, Arie (1993)

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