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Now showing items 1-10 of 95

Artículo

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

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

Artículo

Ion-selective properties of a small ionophore in methanol studied by free energy perturbation simulations

Åqvist, Johan; Álvarez Araya, Osvaldo; Eisenman, George (1992)

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

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

Solvent effects on the amidic bond. 1H nuclear magnetic resonance study of acetamide and N-methylacetamide

Gonzalez, Guillermo; Chavez, Ivonne (1981)

Artículo

Exchange energy functional from a Pauli correlationfactor model

Fuentealba Rosas, Patricio (1993)

Artículo

Complexes of bivalent cations wtih a hydroxamic acid from maize extracts

Dabed, Rebeca G.; Toral Ponce, María; Corcuera, Luis J.; Niemeyer, Hermann M. (1983)

Artículo

Theory of d 10 - d 10 Closed-Shell Attraction. III. Rings

Pyykkö, Pekka; Mendizábal Emaldía, Fernando (1998)

Artículo

Free energies underlying ion binding and transport in protein channels: Free energy perturbation simulations of ion binding and selectivity for valinomycin

Eisenman, George; Aqvist, Johan; Álvarez Araya, Osvaldo (Royal Soc Chemistry, 1991)

Artículo

Higher-order derivatives in density-functional theory, especially the hardness derivative ∂η/∂N

Fuentealba Rosas, Patricio; Parr, Robert G. (1991)

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