| 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 | 154 | 2000 |
| A refined Monte Carlo study of Mg2+ and Ca2+ hydration MI Bernal‐Uruchurtu, I Ortega‐Blake The Journal of chemical physics 103 (4), 1588-1598, 1995 | 125 | 1995 |
| Theoretical and experimental evaluation of homo-and heterodimeric hydrogen-bonded motifs containing boronic acids, carboxylic acids, and carboxylate anions: Application for the … P Rodríguez-Cuamatzi, OI Arillo-Flores, MI Bernal-Uruchurtu, H Höpfl Crystal growth & design 5 (1), 167-175, 2005 | 90 | 2005 |
| Basic ideas for the correction of semiempirical methods describing H-bonded systems MI Bernal-Uruchurtu, MF Ruiz-López Chemical Physics Letters 330 (1-2), 118-124, 2000 | 87 | 2000 |
| Improving description of hydrogen bonds at the semiempirical level: water–water interactions as test case MI Bernal‐Uruchurtu, MTC Martins‐Costa, C Millot, MF Ruiz‐López Journal of Computational Chemistry 21 (7), 572-581, 2000 | 79 | 2000 |
| Simulation of liquid water using semiempirical hamiltonians and the divide and conquer approach G Monard, MI Bernal-Uruchurtu, A Van Der Vaart, KM Merz, ... The Journal of Physical Chemistry A 109 (15), 3425-3432, 2005 | 71 | 2005 |
| Structure, spectroscopy and dynamics of halogen molecules interacting with water MI Bernal-Uruchurtu §, G Kerenskaya, KC Janda International Reviews in Physical Chemistry 28 (2), 223-265, 2009 | 66 | 2009 |
| On the organizing role of water molecules in the assembly of boronic acids and 4, 4′-bipyridine: 1D, 2D and 3D hydrogen-bonded architectures containing cyclophane-type motifs P Rodriguez-Cuamatzi, R Luna-Garcia, A Torres-Huerta, ... Crystal Growth and Design 9 (3), 1575-1583, 2009 | 66 | 2009 |
| On the Unusual Properties of Halogen Bonds: A Detailed ab Initio Study of X2−(H2O)1−5 clusters (X = Cl and Br) MI Bernal-Uruchurtu, R Hernández-Lamoneda, KC Janda The Journal of Physical Chemistry A 113 (19), 5496-5505, 2009 | 59 | 2009 |
| An improved semiempirical method for hydrated systems W Harb, MI Bernal-Uruchurtu, MF Ruiz-López Theoretical Chemistry Accounts 112, 204-216, 2004 | 42 | 2004 |
| Can semi-empirical models describe HCl dissociation in water? OI Arillo-Flores, MF Ruiz-López, MI Bernal-Uruchurtu Theoretical Chemistry Accounts 118, 425-435, 2007 | 28 | 2007 |
| Two-Dimensional H2O−Cl2 and H2O−Br2 Potential Surfaces: An Ab Initio Study of Ground and Valence Excited Electronic States R Hernandez-Lamoneda, VH Uc Rosas, MI Bernal Uruchurtu, ... The Journal of Physical Chemistry A 112 (1), 89-96, 2008 | 26 | 2008 |
| Theoretical and experimental evaluation of homo-and heterodimeric hydrogen-bonded motifs containing boronic acids, carboxylic acids, and carboxylate anions: Application for the … P Rodrıguez-Cuamatzi, OI Arillo-Flores, MI Bernal-Uruchurtu, H Höpfl Crystal Growth Design 5, 167, 2005 | 25 | 2005 |
| Experimental and theoretical analysis of the hydrogen-bonding motifs formed between the carboxyl and the carboxylate group: towards a systematic classification of their … P Rodríguez-Cuamatzi, OI Arillo-Flores, MI Bernal-Uruchurtu, H Höpfl Supramolecular Chemistry 19 (8), 559-578, 2007 | 24 | 2007 |
| Theoretical insights on electron donor–acceptor interactions involving carbon dioxide E San-Fabián, F Ingrosso, A Lambert, MI Bernal-Uruchurtu, ... Chemical Physics Letters 601, 98-102, 2014 | 21 | 2014 |
| Metal coordination compounds derived from tinidazole and transition metals. Halogen and oxygen lone pair··· π interactions I Alfaro-Fuentes, H López-Sandoval, E Mijangos, AM Duarte-Hernández, ... Polyhedron 67, 373-380, 2014 | 21 | 2014 |
| Comment on “Examining the influence of the geometry change on the Monte Carlo simulations of in water” [J. Chem. Phys. 105, 5968 (1996)] MI Bernal-Uruchurtu, J Hernández-Cobos, I Ortega-Blake The Journal of chemical physics 108 (4), 1750-1751, 1998 | 15 | 1998 |
| On the molecular basis of water hydrolysis. A detailed ab initio study MI Bernal-Uruchurtu, I Ortega-Blake The Journal of Physical Chemistry A 103 (7), 884-892, 1999 | 14 | 1999 |
| Performance of local correlation methods for halogen bonding: The case of Br2–(H2O) n, n= 4, 5 clusters and Br2@ 51262 clathrate cage FA Batista-Romero, P Pajón-Suárez, MI Bernal-Uruchurtu, ... The Journal of Chemical Physics 143 (9), 2015 | 13 | 2015 |
| Large Shift and Small Broadening of Br2 Valence Band upon Dimer Formation with H2O: An Ab Initio Study R Franklin-Mergarejo, J Rubayo-Soneira, N Halberstadt, T Ayed, ... The Journal of Physical Chemistry A 115 (23), 5983-5991, 2011 | 13 | 2011 |
Ramon Hernandez-LamonedaUniversidad Autónoma del Estado de MorelosVerified email at uaem.mx
