Publicaciones en las que colabora con Victor Jesús García Hernández (15)

2022

  1. Introducing a new model based on electronegativity equalization principle for the analysis of the natural bond orbital reactivity in the c-DFT background

    International Journal of Quantum Chemistry, Vol. 122, Núm. 23

2021

  1. Property-oriented basis sets for computation of atomization energies

    Journal of Computational Chemistry, Vol. 42, Núm. 30, pp. 2154-2162

2020

  1. On Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis Set

    Journal of Physical Chemistry A, Vol. 124, Núm. 23, pp. 4700-4711

  2. Software to obtain spatially localized functions from different radial functions

    Journal of Computer-Aided Molecular Design, Vol. 34, Núm. 3, pp. 267-280

  3. Spatially restricted Double Z-Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets

    International Journal of Quantum Chemistry, Vol. 120, Núm. 6

2019

  1. Developing and Using a Computer Simulation of Liquid-Vapor Transitions to Improve Students' Assimilation of Concepts Related to the Behavior of Real Gases

    Journal of Chemical Education, Vol. 96, Núm. 8, pp. 1646-1653

  2. New insights in conceptual DFT: New model for the calculation of local reactivity indices based on the Sanderson's principle

    International Journal of Quantum Chemistry, Vol. 119, Núm. 7

2018

  1. Introducing a new bond reactivity index: Philicities for natural bond orbitals

    Journal of Molecular Modeling, Vol. 24, Núm. 1

  2. Introducing a new methodology for the calculation of local philicity and multiphilic descriptor: an alternative to the finite difference approximation

    Molecular Physics, Vol. 116, Núm. 13, pp. 1737-1748

  3. Simplified box orbitals for molecules containing atoms beyond Ar

    Molecular Physics, Vol. 116, Núm. 18, pp. 2310-2320

2017

  1. Software to obtain accurate Gaussian expansions for a wide range of radial functions

    Journal of Molecular Modeling, Vol. 23, Núm. 5

2016

  1. Simplified Box Orbitals (SBO) for H To Ar atoms: Exact expressions, SBO-3G approximations, and relations with the ZDO approximation

    International Journal of Quantum Chemistry, Vol. 116, Núm. 17, pp. 1303-1312

2014

  1. Simplified box orbitals: A spatially restricted alternative to the slater-type orbitals

    International Journal of Quantum Chemistry, Vol. 114, Núm. 23, pp. 1581-1593

2013

  1. Electronic confinement effects on the reaction field type calculations of solvent effects

    International Journal of Quantum Chemistry, Vol. 113, Núm. 18, pp. 2172-2179

2011

  1. Funciones de base espacialmente restringidas para el estudio de las propiedades de las moléculas orgánicas

    Funciones de base espacialmente restringidas para el estudio de las propiedades de las moléculas orgánicas