| 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 | 151 | 2000 |
| Solving the hydration structure of the heaviest actinide aqua ion known: the californium (III) case E Galbis, J Hernández-Cobos, C den Auwer, C Le Naour, D Guillaumont, ... Angew. Chem. Int. Ed 49, 3811-3815, 2010 | 95 | 2010 |
| Effect of Zn and Ni substitution on the local electronic structure of the YBa 2 Cu 3 O 7 superconductor IG Kaplan, J Soullard, J Hernández-Cobos Physical Review B 65 (21), 214509, 2002 | 60 | 2002 |
| A refined Monte Carlo study of aqueous urea solutions J Hernández‐Cobos, I Ortega‐Blake, M Bonilla‐Marín, M Moreno‐Bello The Journal of chemical physics 99 (11), 9122-9134, 1993 | 52 | 1993 |
| 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 | 51 | 2006 |
| 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 |
| The role of nonadditive effects in the second hydration shell of Mg2+ and Ca2+. A molecular orbital study of the three‐body potential energy surface I Ortega‐Blake, J Hernandez, O Novaro The Journal of chemical physics 81 (4), 1894-1900, 1984 | 43 | 1984 |
| Many-body forces and electron correlation in small metal clusters IG Kaplan, J Hernández-Cobos, I Ortega-Blake, O Novaro Physical Review A 53 (4), 2493, 1996 | 39 | 1996 |
| Hydrophobic hydration in methanol aqueous solutions J Hernández‐Cobos, I Ortega‐Blake The Journal of chemical physics 103 (21), 9261-9273, 1995 | 34 | 1995 |
| Aqueous solvation of As (OH) 3: A Monte Carlo study with flexible polarizable classical interaction potentials J Hernández-Cobos, MC Vargas, A Ramírez-Solís, I Ortega-Blake The Journal of chemical physics 133 (11), 2010 | 33 | 2010 |
| 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 | 31 | 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 | 28 | 2006 |
| Liquid vapor equilibria for an ab initio model for water AD Mackie, J Hernandez-Cobos, LF Vega The Journal of chemical physics 111 (5), 2103-2108, 1999 | 28 | 1999 |
| 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 |
| Aqueous Solvation of SmI2: A Born-Oppenheimer Molecular Dynamics Density Functional Theory Cluster Approach. RRS SA, JI Amaro-Estrada, J Hernández-Cobos, L Maron The Journal of Physical chemistry. A 121 (11), 2293-2297, 2017 | 25 | 2017 |
| Electronic structure of ceramics at the MP2 electron correlation level IG Kaplan, J Soullard, J Hernandez-Cobos, R Pandey Journal of Physics: Condensed Matter 11 (4), 1049, 1999 | 24 | 1999 |
| The hydrophobic hydration of methane as a function of temperature from histogram reweighting Monte Carlo simulations J Hernández-Cobos, AD Mackie, LF Vega The Journal of Chemical Physics 114 (17), 7527-7535, 2001 | 22 | 2001 |
| Theoretical study of the aqueous solvation of HgCl2: Monte Carlo simulations using second-order Moller-Plesset-derived flexible polarizable interaction potentials J Hernández-Cobos, A Ramírez-Solís, L Maron, I Ortega-Blake The Journal of Chemical Physics 136 (1), 2012 | 20 | 2012 |
| Quantum systems in chemistry and physics IG Kaplan, J Hernández-Cobos, J Soullard Kluwer Academic, Dordrecht, 2000 | 20 | 2000 |
ortega blake iprofessor of biophysicsVerified email at fis.unam.mx
