Margarita I. Bernal‐Uruchurtu

A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: The water–water interaction

Humberto Saint-Martı́n, Jorge Hernández‐Cobos, Margarita I. Bernal‐Uruchurtu et al. · The Journal of Chemical Physics · 2000 · 121 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

A refined Monte Carlo study of Mg2+ and Ca2+ hydration

Margarita I. Bernal‐Uruchurtu, Iván Ortega‐Blake · The Journal of Chemical Physics · 1995 · 105 citations

Engineering, First Hydration Shell, Computational Chemistry +22

Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions:  Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems

P. Rodríguez-Cuamatzi, O.I. Arillo-Flores, Margarita I. Bernal‐Uruchurtu et al. · Crystal Growth & Design · 2004 · 82 citations

Supramolecular Assembly, Engineering, Theoretical Inorganic Chemistry +16

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. Rodríguez-Cuamatzi, R. Luna-Garcia, Aarón Torres‐Huerta et al. · Crystal Growth & Design · 2009 · 69 citations

Arylboronic Acids, Supramolecular Assembly, Engineering +13

Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case

Margarita I. Bernal‐Uruchurtu, Marilia T. C. Martins‐Costa, Claude Millot et al. · Journal of Computational Chemistry · 2000 · 68 citations