Alfredo Guevara‐García

Universidad Autónoma Metropolitana — Mexico

Physics and Astronomy · Physical Sciences

13h-index443citations36works2.42yr avg
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Research Topics

Advanced Chemical Physics Studies(13), Crystallization and Solubility Studies(7), X-ray Diffraction in Crystallography(7), Catalytic Processes in Materials Science(5), Magnetism in coordination complexes(4)

Publications36 total

The Use of Grand Canonical Density Functional Theory Global and Local Reactivity Parameters to Study Electrochemical Processes in Energy Storage Materials
Journal of the Mexican Chemical Society·2025Open Access
Adsorption grand potential of OH on metal oxide surfaces
Journal of Molecular Modeling·2024
A refreshing approach to understanding the action on DNA of vanadium (IV) and (V) complexes derived from the anticancer VCpCl
Journal of Inorganic Biochemistry·2024· 2 cited
Hydrodesulfurization of Dibenzothiophene: A Machine Learning Approach
ChemistryOpen·2024· 7 citedOpen Access
Redox properties of PbO2, IrO2 and SnO2 (110) surfaces with an adsorbed OH molecule: a chemical reactivity study in the grand canonical ensemble
Theoretical Chemistry Accounts·2024· 3 cited
Effects of Intra-Structural Interactions of Indium Hexacyanoferrate on the Li <sup>+</sup> and K <sup>+</sup> Intercalation Potential
Journal of The Electrochemical Society·2021· 2 cited
Electronic structure behavior of PbO2, IrO2, and SnO2 metal oxide surfaces (110) with dissociatively adsorbed water molecules as a function of the chemical potential
The Journal of Chemical Physics·2021· 13 cited
Establishing the Relationship between Quantum Capacitance and Softness of N-Doped Graphene/Electrolyte Interfaces within the Density Functional Theory Grand Canonical Kohn–Sham Formalism
The Journal of Physical Chemistry A·2019· 10 cited
Experimental and Theoretical Investigation on the Origin of the High Intercalation Voltage of K<sub>2</sub>Zn<sub>3</sub>[Fe(CN)<sub>6</sub>]<sub>2</sub> Cathode
Journal of The Electrochemical Society·2018· 21 citedOpen Access
Using local softness to reveal oxygen participation in redox processes in cathode materials
Journal of Molecular Modeling·2018· 13 cited
Sensing the active site properties of enzymes as a function of the size of an effective peptidic environment using DFT reactivity parameters
Theoretical Chemistry Accounts·2016· 2 cited
Hydrogen bonds in methane–water clusters
Physical Chemistry Chemical Physics·2016· 22 cited
Theoretical and experimental studies of highly active graphene nanosheets to determine catalytic nitrogen sites responsible for the oxygen reduction reaction in alkaline media
Journal of Materials Chemistry A·2015· 42 cited
Sensing polarization effects through the analysis of the effective C6 dispersion coefficients in NaCl solutions
The Journal of Chemical Physics·2015· 1 cited
Grid‐based algorithm to search critical points, in the electron density, accelerated by graphics processing units
Journal of Computational Chemistry·2014· 70 cited
Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density
The Journal of Chemical Physics·2011· 60 citedOpen Access
The mechanics of charge-shift bonds: A perspective from the electronic stress tensor
Chemical Physics Letters·2011· 31 citedOpen Access
Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu–(cytidine) and Cu–(uridine)
The Journal of Chemical Physics·2011· 3 cited
Influence of the transannular interaction in spiro-heterocycles containing Ge(IV) and Sn(IV). A comparative study
Polyhedron·2011· 3 cited
CCDC 798256: Experimental Crystal Structure Determination
The Cambridge Structural Database·2011Open Access
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Frequent Co-authors

Marcelo Galván(11), Ana Martı́nez(8), V. García-Montalvo(7), M. Granados-Ortiz(7), V. Lomeli(7), Sandra González‐Gallardo(7), Raymundo Cea‐Olivares(7), Simón Hernández‐Ortega(7), Claudia Islas-Vargas(6), D.O.-G. De Velasco(6), Rubén A. Toscano(5), J. V. Ortiz(4), Eleonora Echegaray(3), Alejandro Toro‐Labbé(3), Samantha Jenkins(3), Steven R. Kirk(3), Paul W. Ayers(3), Laura Roces(3), Santiago Garcı́a-Granda(3), Fernando López Ortiz(3)