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Humberto Saint-Martin

Showing results (1-10 of 21) with videos related to

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Journal of Chemical Theory and Computation|March 23, 2018
A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4PManuel Martínez-Jiménez, Humberto Saint-Martin
The Journal of Physical Chemistry. B|May 1, 2009
Dynamics and structure of Ln(III)-aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentialsAlessandra Villa, Berk Hess, Humberto Saint-Martin
The Journal of Physical Chemistry. B|August 29, 2007
A molecular dynamics calculations of hole transfer rates in DNA strandsMaksym Volobuyev, Humberto Saint-Martin, Ludwik Adamowicz
International Journal of Molecular Sciences|May 31, 2016
A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas CoexistenceDaniel Porfirio Luis, Alcione García-González, Humberto Saint-Martin
The Journal of Chemical Physics|July 23, 2004
An application of flexible constraints in Monte Carlo simulations of the isobaric--isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators modelHumberto Saint-Martin, Berk Hess, Herman J C Berendsen
The Journal of Chemical Physics|June 25, 2005
Water models based on a single potential energy surface and different molecular degrees of freedomHumberto Saint-Martin, Jorge Hernández-Cobos, Iván Ortega-Blake
Physical Review Letters|November 5, 2004
Minimalist molecular model for nanopore selectivityMauricio Carrillo-Tripp, Humberto Saint-Martin, Iván Ortega-Blake
Physical Chemistry Chemical Physics : PCCP|September 17, 2011
A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4QJosé Alejandre, Gustavo A Chapela, Humberto Saint-Martin, et al.
Physical Review Letters|February 22, 2020
Solving the CH_{4}^{-} Riddle: The Fundamental Role of Spin to Explain Metastable Anionic MethaneAlejandro Ramírez-Solís, Jacques Vigué, Guillermo Hinojosa, et al.
The Journal of Physical Chemistry. A|February 15, 2023
Entropic Effects on the Aqueous Microsolvation of Protonated Glycine and Protonated β-Alanine. Hybrid Density Functional Theory Born-Oppenheimer Molecular Dynamics StudiesIván Eliezer Romero-Ramírez, Alejandro Ramírez-Solís, Humberto Saint-Martin Posada
Pageof 3

Showing results (1-10 of 21) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|March 23, 2018
A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4PManuel Martínez-Jiménez, Humberto Saint-Martin
The Journal of Physical Chemistry. B|May 1, 2009
Dynamics and structure of Ln(III)-aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentialsAlessandra Villa, Berk Hess, Humberto Saint-Martin
The Journal of Physical Chemistry. B|August 29, 2007
A molecular dynamics calculations of hole transfer rates in DNA strandsMaksym Volobuyev, Humberto Saint-Martin, Ludwik Adamowicz
International Journal of Molecular Sciences|May 31, 2016
A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas CoexistenceDaniel Porfirio Luis, Alcione García-González, Humberto Saint-Martin
The Journal of Chemical Physics|July 23, 2004
An application of flexible constraints in Monte Carlo simulations of the isobaric--isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators modelHumberto Saint-Martin, Berk Hess, Herman J C Berendsen
The Journal of Chemical Physics|June 25, 2005
Water models based on a single potential energy surface and different molecular degrees of freedomHumberto Saint-Martin, Jorge Hernández-Cobos, Iván Ortega-Blake
Physical Review Letters|November 5, 2004
Minimalist molecular model for nanopore selectivityMauricio Carrillo-Tripp, Humberto Saint-Martin, Iván Ortega-Blake
Physical Chemistry Chemical Physics : PCCP|September 17, 2011
A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4QJosé Alejandre, Gustavo A Chapela, Humberto Saint-Martin, et al.
Physical Review Letters|February 22, 2020
Solving the CH_{4}^{-} Riddle: The Fundamental Role of Spin to Explain Metastable Anionic MethaneAlejandro Ramírez-Solís, Jacques Vigué, Guillermo Hinojosa, et al.
The Journal of Physical Chemistry. A|February 15, 2023
Entropic Effects on the Aqueous Microsolvation of Protonated Glycine and Protonated β-Alanine. Hybrid Density Functional Theory Born-Oppenheimer Molecular Dynamics StudiesIván Eliezer Romero-Ramírez, Alejandro Ramírez-Solís, Humberto Saint-Martin Posada
Pageof 3