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International Journal of Molecular Sciences|December 11, 2022
Theoretical Analysis of Polynuclear Zinc Complexes Isolobally Related to HydrocarbonsRegla Ayala, Agustín Galindo
Journal of Chemical Theory and Computation|December 3, 2015
Ligand Field Effects on the Aqueous Ru(III)/Ru(II) Redox Couple from an All-Atom Density Functional Theory PerspectiveRegla Ayala, Michiel Sprik
The Journal of Physical Chemistry. B|November 13, 2007
A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solutionRegla Ayala, Michiel Sprik
Dalton Transactions (Cambridge, England : 2003)|March 11, 2026
Water-soluble silver nanoparticles stabilized by amino acid-derived N-heterocyclic carbenes: synthesis, properties and theoretical study of the nucleation processCarlos J Carrasco, Regla Ayala, Sara Garrido, et al.
The Journal of Physical Chemistry. B|December 1, 2012
Quantum-mechanical study on the aquaions and hydrolyzed species of Po(IV), Te(IV), and Bi(III) in waterRegla Ayala, José Manuel Martínez, Rafael R Pappalardo, et al.
The Journal of Chemical Physics|October 12, 2004
Study of the stabilization energies of halide-water clusters: an application of first-principles interaction potentials based on a polarizable and flexible modelRegla Ayala, José M Martínez, Rafael R Pappalardo, et al.
The Journal of Physical Chemistry. A|January 30, 2018
Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics StudyRegla Ayala, José Manuel Martínez, Rafael R Pappalardo, et al.
The Journal of Physical Chemistry. B|March 12, 2014
Understanding the role of the cosolvent in the zeolite template function of imidazolium-based ionic liquidRegla Ayala, Svetlana Ivanova, José María Martínez Blanes, et al.
The Journal of Physical Chemistry. B|April 10, 2008
Po(IV) hydration: a quantum chemical studyRegla Ayala, Jose Manuel Martinez, Rafael R Pappalardo, et al.
The Journal of Physical Chemistry. B|January 10, 2009
General quantum-mechanical study on the hydrolysis equilibria for a tetravalent aquaion: the extreme case of the Po(IV) in waterRegla Ayala, José M Martínez, Rafael R Pappalardo, et al.
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