| 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 | 192 | 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 | 153 | 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 | 73 | 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 | 71 | 1990 |
| 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 |
| 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 | 64 | 2009 |
| 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 | 53 | 2006 |
| 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 | 52 | 2002 |
| 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 | 50 | 2015 |
| 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 | 50 | 2002 |
| 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 | 49 | 2000 |
| 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 | 37 | 1996 |
| 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 | 36 | 2015 |
| 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 | 33 | 2018 |
| 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 | 27 | 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 |
| 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 | 26 | 2010 |
| 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 | 26 | 2007 |
| 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 | 26 | 1994 |
ortega blake iprofessor of biophysicsVerified email at fis.unam.mx
