Publicaciones 2011-2020

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2017

Orellana, C; Mendizabal, F; González, G; Miranda-Rojas, S; Barrientos-Poblete, L

Palmitic Acid and Hexadecylamine Molecules Assdsorbed on Titania Surface in Hybrid Composites. Effect of Surfactants Using Density Functional Theory Artículo de revista

Computational and Theoretical Chemistry, 1110 , pp. 50-59, 2017, ISSN: 2210-271x.

Resumen | Enlaces | BibTeX | Etiquetas: basis-sets, bsse, calculations, catalysis, clusters, compounds, dft dft, dioxide dispersion enzymatic hexadecylamine, hydrogen-bonds, interactions, laminar n-body noncovalent palmitic photocatalysis properties, sensitized solar-cells, spectroscopic strong term, tio2, titanium

2015

Mendizabal, F; Miranda-Rojas, S; Barrientos-Poblete, L

A Comparative Study between Post-Hartree-Fock Methods and Density Functional Theory in Closed-Shell Aurophilic Attraction Artículo de revista

Computational and Theoretical Chemistry, 1057 , pp. 74-79, 2015, ISSN: 2210-271x.

Resumen | Enlaces | BibTeX | Etiquetas: attraction, au, aurophilic chemistry, clusters, complexes, correction, crystal-structures, cu dft, dimers, dispersion gold interaction, kinetics, metallophilic theoretical thermochemical