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Now showing items 1-10 of 16

Artículo

On the SCF theory of continuum solvent effects representation II. Quantum chemical calculation of thermodynamic properties of some acid‐base equilibria in solution

Contreras Ramos, Renato; Aizman, Arie (1986)

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

A theoretical study of solvent effects on the relative thermodynamic stabilities of the allyl+/F- and allyl-/Li+ ion pairs in polar media

Contreras Ramos, Renato; Padilla, Luis; Gómez Jeria, Juan; Aizman, Arie (1990)

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

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

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

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

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)

Artículo

Self‐consistent reaction field calculations on the proton transfer in ammonia‐formic acid systems as a model for hydrogen bonding in amino acids in solution

Parra Mouchet, Julia; Contreras Ramos, Renato; Aizman, Arie (1988)

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