José M. Martı́nez

First-Principles Ion−Water Interaction Potentials for Highly Charged Monatomic Cations. Computer Simulations of Al³⁺, Mg²⁺, and Be²⁺in Water

José M. Martı́nez, Rafael R. Pappalardo, Enrique Sánchez Marcos · Journal of the American Chemical Society · 1999 · 134 citations

Engineering, Theoretical Inorganic Chemistry, First Hydration Shell +18

Solvent Effects on Nuclear Shieldings:  Continuum or Discrete Solvation Models To Treat Hydrogen Bond and Polarity Effects?

Benedetta Mennucci, José M. Martı́nez, Jacopo Tomasi · The Journal of Physical Chemistry A · 2001 · 116 citations

Engineering, Nmr Spectroscopy, Computational Chemistry +20

How to Model Solvation of Peptides? Insights from a Quantum-mechanical and Molecular Dynamics Study of <i>N</i>-Methylacetamide. 1. Geometries, Infrared, and Ultraviolet Spectra in Water

Benedetta Mennucci, José M. Martı́nez · The Journal of Physical Chemistry B · 2005 · 94 citations

Theoretical Study of the Microsolvation of the Bromide Anion in Water, Methanol, and Acetonitrile:  Ion−Solvent vs Solvent−Solvent Interactions

Regla Ayala, José M. Martı́nez, Rafael R. Pappalardo et al. · The Journal of Physical Chemistry A · 2000 · 76 citations

Engineering, Computational Chemistry, Chemistry +21

On the halide hydration study: Development of first-principles halide ion-water interaction potential based on a polarizable model

Regla Ayala, José M. Martı́nez, Rafael R. Pappalardo et al. · The Journal of Chemical Physics · 2003 · 66 citations · Full text

Engineering, Developed Potentials, Computational Chemistry +19