Publicaciones 2011-2020

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2018

Lodeiro, L; Contreras, R; Ormazabal-Toledo, R

How Meaningful Is the Halogen Bonding in 1-Ethyl-3-Methyl Imidazolium-Based Ionic Liquids for Co2 Capture? Artículo de revista

Journal of Physical Chemistry B, 122 (32), pp. 7907-7914, 2018, ISSN: 1520-6106.

Resumen | Enlaces | BibTeX | Etiquetas: atmospheric carbon-dioxide, co2, conversion, dynamics, field, hydrogen-bonds, mechanism molecular-force reactivity, solubility, solvents

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