Regla Ayala

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

Geometry and Hydration Structure of Pt(II) Square Planar Complexes [Pt(H₂O)₄]²⁺ and [PtCl₄]^2- as Studied by X-ray Absorption Spectroscopies and Quantum-Mechanical Computations

Regla Ayala, Enrique Sánchez Marcos, Sofía Díaz‐Moreno et al. · The Journal of Physical Chemistry B · 2001 · 74 citations

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

A Classical Point Charge Model Study of System Size Dependence of Oxidation and Reorganization Free Energies in Aqueous Solution

Regla Ayala, Michiel Sprik · The Journal of Physical Chemistry B · 2007 · 58 citations

Engineering, Oxidation Resistance, Computational Chemistry +22

Development of first-principles interaction model potentials. An application to the study of the bromide hydration

Regla Ayala, José M. Martı́nez, Rafael R. Pappalardo et al. · The Journal of Chemical Physics · 2002 · 41 citations · Full text

Engineering, Monte Carlo Computations, Computational Chemistry +18