Search

Now showing items 1-10 of 31

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

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

A model for the charge capacity of 1T–TiS2 intercalated with Li

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

Artículo

Electrostatic medium effects and formal quantum structure-activity relationships in apomorphines interacting with D1 and D2 dopamine receptors

Gómez Jeria, Juan; Ojeda-Vergara, Mario (John Wiley and Sons Inc., 1997)

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

Energy, chemical potential and hardness profiles for the rotational isomerization of HOOH, HSOH and HSSH

Gutiérrez-Oliva, Soledad; Letelier, J. R.; Toro-LabbÉ, A. (1999)

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

Vibronic intensities in the electroni c spectra of transition metal complex ions. part IX. experimental study of the relative vibronic intensities in the2Eg →4A2g transition of the mnf2-6 ion in Cs2SiF6

Acevedo, R.; Vasquez, S. O.; Flint, C. D. (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

A density functional theory analysis of the gas and solution phase isomerization reactions of MCN, (M = H, Li, Na) systems

Contreras Ramos, Renato; Safont, V. S.; Pérez, Patricia; Andrés, J.; Moliner, V.; Tapia, O. (Elsevier, 1998)

1
2
3
4