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Humberto Saint-Martin
Humberto Saint-Martin
Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico
Verified email at fis.unam.mx
Title
Cited by
Cited by
Year
A comparative study of the hydration of and with refined polarizable model potentials
M Carrillo-Tripp, H Saint-Martin, I Ortega-Blake
The Journal of Chemical Physics 118 (15), 7062-7073, 2003
1922003
A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: the water–water interaction
H Saint-Martin, J Hernández-Cobos, MI Bernal-Uruchurtu, I Ortega-Blake, ...
The Journal of Chemical Physics 113 (24), 10899-10912, 2000
1532000
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 …
H Saint-Martin, B Hess, HJC Berendsen
The Journal of chemical physics 120 (23), 11133-11143, 2004
952004
Minimalist molecular model for nanopore selectivity
M Carrillo-Tripp, H Saint-Martin, I Ortega-Blake
Physical review letters 93 (16), 168104, 2004
712004
Nonadditivity in an analytical intermolecular potential: The water–water interaction
H Saint‐Martin, C Medina‐Llanos, I Ortega‐Blake
The Journal of chemical physics 93 (9), 6448-6452, 1990
711990
A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q
J Alejandre, GA Chapela, H Saint-Martin, N Mendoza
Physical Chemistry Chemical Physics 13 (44), 19728-19740, 2011
642011
Dynamics and structure of Ln (III)− aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentials
A Villa, B Hess, H Saint-Martin
The Journal of Physical Chemistry B 113 (20), 7270-7281, 2009
642009
Ion hydration in nanopores and the molecular basis of selectivity
M Carrillo-Tripp, ML San-Román, J Hernańdez-Cobos, H Saint-Martin, ...
Biophysical Chemistry 124 (3), 243-250, 2006
522006
Flexible constraints: An adiabatic treatment of quantum degrees of freedom, with application to the flexible and polarizable mobile charge densities in harmonic oscillators …
B Hess, H Saint-Martin, HJC Berendsen
The Journal of chemical physics 116 (22), 9602-9610, 2002
512002
Development of first-principles interaction model potentials. An application to the study of the bromide hydration
R Ayala, JM Martınez, RR Pappalardo, H Saint-Martı́n, I Ortega-Blake, ...
The Journal of chemical physics 117 (23), 10512-10524, 2002
502002
Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the hydration
JM Martı́nez, J Hernández-Cobos, H Saint-Martin, RR Pappalardo, ...
The Journal of Chemical Physics 112 (5), 2339-2347, 2000
492000
Direct coexistence methods to determine the solubility of salts in water from numerical simulations. Test case NaCl
HM Manzanilla-Granados, H Saint-Martín, R Fuentes-Azcatl, J Alejandre
The Journal of Physical Chemistry B 119 (26), 8389-8396, 2015
482015
Toward an Understanding of the Hydrolysis of Mg−PPi. An ab Initio Study of the Isomerization Reactions of Neutral and Anionic Mg−Pyrophosphate Complexes
H Saint-Martin, LE Ruiz-Vicent, A Ramírez-Solís, I Ortega-Blake
Journal of the American Chemical Society 118 (48), 12167-12173, 1996
371996
A theoretical study of the dissociation of the sI methane hydrate induced by an external electric field
DP Luis, EC Herrera-Hernández, H Saint-Martin
The Journal of Chemical Physics 143 (20), 2015
362015
Experimental and theoretical studies on the implications of halide-dependent aqueous solvation of Sm (II)
A Ramírez-Solís, CO Bartulovich, TV Chciuk, J Hernández-Cobos, ...
Journal of the American Chemical Society 140 (48), 16731-16739, 2018
332018
A Theoretical Study of the Hydration of Li+ by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials
ML San-Román, M Carrillo-Tripp, H Saint-Martin, J Hernández-Cobos, ...
Theoretical Chemistry Accounts 115, 177-189, 2006
272006
An Ab Initio Study of the Isomerization of Mg− and Ca−Pyrophosphates
WJ McCarthy, DMA Smith, L Adamowicz, H Saint-Martin, I Ortega-Blake
Journal of the American Chemical Society 120 (24), 6113-6120, 1998
271998
A theoretical study of the hydration of Rb+ by Monte Carlo simulations with refined ab initio-based model potentials
ML San-Román, J Hernández-Cobos, H Saint-Martin, I Ortega-Blake
Theoretical Chemistry Accounts 126, 197-211, 2010
262010
Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation
M Valdéz-González, H Saint-Martin, J Hernández-Cobos, R Ayala, ...
The Journal of chemical physics 127 (22), 2007
262007
The role of hydration in the hydrolysis of pyrophosphate. A Monte Carlo simulation with polarizable-type interaction potentials
H Saint-Martin, I Ortega-Blake, A Leś, L Adamowicz
Biochimica et Biophysica Acta (BBA)-Protein Structure and Molecular …, 1994
261994
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