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Journal of Computational Chemistry|July 29, 2026
WFX Molecular Fragment References for Hirshfeld Charge-Transfer Analysis in Non-Covalent ComplexesJorge Garza, Rubicelia Vargas
The Journal of Physical Chemistry. A|July 17, 2026
Fortuitous Error Attenuation in Hirshfeld Charges from Gaussian-Based Spherical Atomic DensitiesJorge Garza, Rubicelia Vargas
The Journal of Physical Chemistry. A|July 13, 2006
Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theoryRubicelia Vargas, Jorge Garza, Andrés Cedillo
Physical Chemistry Chemical Physics : PCCP|November 29, 2011
The role of conformational changes in the signal enhancement of a selective chemosensor of Pb2+José-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza
The Journal of Physical Chemistry. A|July 13, 2006
Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bondsJorge Garza, José-Zeferino Ramírez, Rubicelia Vargas
The Journal of Chemical Physics|March 19, 2008
The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structureAlejandra M Navarrete-López, Jorge Garza, Rubicelia Vargas
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 13, 2019
van der Waals exchange-correlation functionals over bulk and surface properties of transition metalsJoana Avelar, Albert Bruix, Jorge Garza, et al.
The Journal of Physical Chemistry. A|October 9, 2007
Relationship between the critical points found by the electron localization function and atoms in molecules approaches in adducts with hydrogen bondsAlejandra M Navarrete-López, Jorge Garza, Rubicelia Vargas
Physical Review. E|October 18, 2023
Finite element method as an alternative to study the electronic structure of confined atomsJuan-José García-Miranda, Rubicelia Vargas, Jorge Garza
Journal of Molecular Modeling|November 12, 2024
Interactions involved in the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface: a Density Functional Theory studyJoana Avelar, Raymundo Hernández-Esparza, Jorge Garza, et al.
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