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Journal of Molecular Modeling|September 3, 2019
Modeling of silicon- and aluminum-doped phosphorene nanoflakesEsaú Martínez Olmedo, Cesar Gabriel Vera de la Garza, Serguei Fomine
The Journal of Physical Chemistry. A|June 26, 2026
Hydrogen Adsorption on Transition-Metal-Decorated Graphene: Thermodynamic and AIMD Insights from DFT and Post-Hartree-Fock MethodsWilmer Esteban Vallejo Narváez, Cesar Gabriel Vera de la Garza, Serguei Fomine
Physical Chemistry Chemical Physics : PCCP|May 24, 2023
Catalytic activity of silicene biflakes for CO<sub>2</sub> reduction: a theoretical approachWilmer E Vallejo Narváez, Cesar Gabriel Vera de la Garza, Serguei Fomine
Physical Chemistry Chemical Physics : PCCP|September 19, 2023
Enhancing CO<sub>2</sub> reduction through the catalytic effect of a novel silicon haeckelite-inspired 2D materialWilmer Esteban Vallejo Narváez, Cesar Gabriel Vera de la Garza, Serguei Fomine
Journal of Molecular Modeling|April 28, 2021
Novel 2D allotropic forms and nanoflakes of silicon, phosphorus, and germanium: a computational studyCesar Gabriel Vera de la Garza, Wilmer Esteban Vallejo Narváez, Luis Daniel Solís Rodríguez, et al.
Journal of Molecular Modeling|March 9, 2020
Electronic structure of hybrid pentaheptite carbon nanoflakes containing boron-nitrogen motifsCesar Gabriel Vera de la Garza, Wilmer Esteban Vallejo Narváez, Luis Daniel Solís Rodríguez, et al.
Journal of Molecular Modeling|May 18, 2021
In silico modeling: electronic properties of phosphorene monoflakes and biflakes substituted with Al, Si, and S heteroatomsCesar Gabriel Vera de la Garza, Luis Daniel Solis Rodriguez, Serguei Fomine, et al.
Journal of Molecular Modeling|December 30, 2021
Complexes of Li, Na, and Mg with 2D allotropies of second and third period: a theoretical studyWilmer Esteban Vallejo Narváez, Cesar Gabriel Vera de la Garza, Luis Daniel Solís Rodríguez, et al.
Journal of Molecular Modeling|July 11, 2022
Trifluoromethyl-stabilized 2D nitrogen clusters: a theoretical studyWilmer Esteban Vallejo Narváez, Cesar Gabriel Vera de la Garza, Luis Daniel Solís Rodríguez, et al.
Journal of Molecular Modeling|July 11, 2020
The electronic structure of van der Waals heterostructures formed by the nanoflakes of black phosphorene with those of graphene and haeckelites: their complexes with LiWilmer Esteban Vallejo Narváez, Luis Daniel Solís Rodríguez, Cesar Gabriel Vera de la Garza, et al.
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