F.L. Castillo-Alvarado

Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

Juan I. Rodríguez, Paul W. Ayers, Andreas W. Götz et al. · The Journal of Chemical Physics · 2009 · 63 citations · Full text

Natural Sciences, Chemistry, Physics +11

Theoretical studies of ionic conductivity of crosslinked chitosan membranes

Ernesto López Chávez, Raúl Oviedo‐Roa, Gustavo Contreras-Pérez et al. · International Journal of Hydrogen Energy · 2009 · 48 citations

Natural Sciences, Materials Engineering, Materials Science +16

Structural and vibrational model for vitreous boron oxide

Rafael A. Barrio, F.L. Castillo-Alvarado, F. L. Galeener · Physical review. B, Condensed matter · 1991 · 34 citations

Natural Sciences, Materials Science, Physics +17

Structural and electronic properties of the P3HT–PCBM dimer: A theoretical Study

Israel Gutiérrez-González, Bertha Molina, Andreas W. Götz et al. · Chemical Physics Letters · 2014 · 20 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Modulating the electronic structure of MoS2 nanosheets by Mn doping for improving hydrogen evolution reaction: an experimental and theoretical DFT-QTAIM study

Héctor D. Morales-Rodríguez, K. Nguyen-Ba, Fei Chen et al. · Materials Today Communications · 2023 · 17 citations

Natural Sciences, Materials Engineering, Materials Science +17