Jorge Hérnandez-Cobos

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Jorge Hérnandez-Cobos

Publications by authors named "Jorge Hérnandez-Cobos"

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11Publications

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Aqueous Solvation of SmI: A Born-Oppenheimer Molecular Dynamics Density Functional Theory Cluster Approach.

Inorg Chem 2018 Mar 9;57(5):2843-2850. Epub 2018 Feb 9.

Laboratoire de Physique et Chimie de Nano-objets , Université de Toulouse INSA-CNRS-UPS , 135, Avenue de Rangueil , 31077 Toulouse , France.

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March 2018

X-ray accelerated photo-oxidation of As(III) in solution.

J Phys Chem A 2015 Mar 17;119(12):2829-33. Epub 2015 Mar 17.

†Departamento de Fisica Aplicada, Cinvestav-Merida, Merida, Yucatán 97310, Mexico.

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March 2015

Interpretation of X-ray absorption spectra of As(III) in solution using Monte Carlo simulations.

J Phys Chem A 2014 Nov 7;118(46):10967-73. Epub 2014 Nov 7.

Departamento de Fisica Aplicada, Cinvestav-Merida , Carretera Antigua a Progreso km. 6, Merida, Yucatán 97310, Mexico.

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November 2014

A refined potential for hydroxylamine clusters and the liquid phase.

J Chem Phys 2011 Aug;135(5):054502

Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Cuernavaca, Morelos, México.

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August 2011

Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation.

J Chem Phys 2007 Dec;127(22):224507

Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México, Apartado Postal 48-3, 62251 Cuernavaca, Morelos, Mexico.

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December 2007

Ion hydration in nanopores and the molecular basis of selectivity.

Biophys Chem 2006 Dec 3;124(3):243-50. Epub 2006 May 3.

Chemistry Department, Wabash College, P.O. Box 352, Crawfordsville, IN 47933, USA.

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December 2006

A new nonsymmetric as (OH)3 species. Comparison with the known C3 species and themochemistry at the HF, DFT(B3LYP), MP2, MP4, and CCSD(T) levels of theory.

J Phys Chem A 2006 Jun;110(24):7637-41

Depto. de Física, Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca, Morelos, 62209 México.

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June 2006

Water liquid-vapor equilibria predicted by refined ab initio derived potentials.

J Chem Phys 2005 Jul;123(4):044506

Centro de Ciencias Físicas, Universidad Nacional Autónoma de México, Apartado Postal 48-3, 62251 Cuernavaca, Morelos, Mexico.

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July 2005

Water models based on a single potential energy surface and different molecular degrees of freedom.

J Chem Phys 2005 Jun;122(22):224509

Centro de Ciencias Físicas, Universidad Nacional Autónoma de México, Apartado Postal 48-3, 62251 Cuernavaca, Morelos, Mexico.

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June 2005