Humberto Saint-Martín

Humberto Saint-Martín

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Humberto Saint-Martín

Humberto Saint-Martín

Publications by authors named "Humberto Saint-Martín"

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14Publications

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Hydration of CHHgOH and CHHgCl compared to HgCl, HgClOH, and Hg(OH): A DFT microsolvation cluster approach.

J Chem Phys 2018 Oct;149(14):144301

Depto. de Física, Centro de Investigación en Ciencias-IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, Morelos 62209, Mexico.

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October 2018

A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4P.

J Chem Theory Comput 2018 May 17;14(5):2526-2537. Epub 2018 Apr 17.

Instituto de Ciencias Físicas , Universidad Nacional Autónoma de México , Apartado Postal 48-3 , Cuernavaca 25510 , México.

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May 2018

A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence.

Int J Mol Sci 2016 May 26;17(6). Epub 2016 May 26.

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

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May 2016

Direct Coexistence Methods to Determine the Solubility of Salts in Water from Numerical Simulations. Test Case NaCl.

J Phys Chem B 2015 Jul 17;119(26):8389-96. Epub 2015 Jun 17.

§Departamento de Química, Universidad Autónoma Metropolitana Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, C.P. 09340 México, D.F., México.

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July 2015

A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q.

Phys Chem Chem Phys 2011 Nov 15;13(44):19728-40. Epub 2011 Sep 15.

Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, México D.F., Mexico.

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November 2011

Dynamics and structure of Ln(III)-aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentials.

J Phys Chem B 2009 May;113(20):7270-81

Max-Planck-Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.

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May 2009

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

A molecular dynamics calculations of hole transfer rates in DNA strands.

J Phys Chem B 2007 Sep 28;111(37):11083-9. Epub 2007 Aug 28.

Nano-Biomolecular Engineering Science and Technology (n-BEST) Program and Department of Chemistry, University of Arizona, Tucson, Arizona 85721, USA.

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September 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

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

Minimalist molecular model for nanopore selectivity.

Phys Rev Lett 2004 Oct 14;93(16):168104. Epub 2004 Oct 14.

Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Avenida Universidad 1001, 62210 Cuernavaca, Morelos, México.

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October 2004