A comparative study of the hydration of M Carrillo-Tripp, H Saint-Martin, I Ortega-Blake
The Journal of Chemical Physics 118 (15), 7062-7073, 2003
201 2003 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
148 2000 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
96 2004 Minimalist molecular model for nanopore selectivity M Carrillo-Tripp, H Saint-Martin, I Ortega-Blake
Physical review letters 93 (16), 168104, 2004
75 2004 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
72 1990 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
65 2009 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
64 2011 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
57 2006 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
54 2015 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
50 2002 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
48 2002 Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the JM Martı́nez, J Hernández-Cobos, H Saint-Martin, RR Pappalardo, ...
The Journal of Chemical Physics 112 (5), 2339-2347, 2000
48 2000 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
38 2015 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
38 1996 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
34 2018 Tracing source and mobility of arsenic and trace elements in a hydrosystem impacted by past mining activities (Morelos state, Mexico) A Barats, C Renac, AM Orani, G Durrieu, H Saint Martin, MV Esteller, ...
Science of the Total Environment 712, 135565, 2020
29 2020 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
28 2006 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
27 1998 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
27 1994 Ab initio calculations of the pyrophosphate hydrolysis reaction H Saint-Martin, IO Blake, A Leś, L Adamowicz
Biochimica et Biophysica Acta (BBA)-Protein Structure and Molecular …, 1991
27 1991 
ortega blake iprofessor of biophysicsبريد إلكتروني تم التحقق منه على fis.unam.mx
