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Alejandro Bautista Hernandez

Benemérita Universidad Autónoma de Puebla (BUAP) - Facultad de Ingeniería

SCHOLARLY PAPERS

3

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152

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0

Scholarly Papers (3)

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1.

Prediction of New (TiO2)n n=21-25 Clusters by Means of GA Plus DFT Calculations: A Possible Biological Application

Number of pages: 14 Posted: 26 Apr 2023
Alejandro Bautista Hernandez, A. Escobedo-Morales, Mohammad Fereidooni, C.V. Paz and Martín Villanueva Salazar
Benemérita Universidad Autónoma de Puebla (BUAP) - Facultad de Ingeniería, Chulalongkorn University, Chulalongkorn University, Chulalongkorn University and Benemérita Universidad Autónoma de Puebla (BUAP) - Facultad de Ingeniería
Downloads 71 (875,328)

Abstract:

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DFT calculations, electronic properties, optical properties.

2.

Insightsfrom DFT calculations for Zn54O54 nano-flake as removing of pesticides and drug delivery vehicle. In silico investigation

Number of pages: 47 Posted: 22 Sep 2025
Martín Villanueva Salazar, Alejandro Bautista Hernandez, Francisco Severiano Carrillo, Oscar Guido Arroyo and Irán Fernando Hernández-Ahuactzi
Benemérita Universidad Autónoma de Puebla (BUAP) - Facultad de Ingeniería, Benemérita Universidad Autónoma de Puebla (BUAP) - Facultad de Ingeniería, affiliation not provided to SSRN, Universidad Veracruzana and affiliation not provided to SSRN
Downloads 44 (1,133,231)

Abstract:

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nanoparticles, adsorption, DFT calculations

3.

Effect of Global Charge on Stability and Electronic Properties of B36n36 Cage and Isomers

Number of pages: 18 Posted: 06 Apr 2023
Martin Salazar Villanueva, Alejandro Bautista Hernandez, Ehsan Shakerzadeh and Ernesto Chigo Anota
affiliation not provided to SSRN, Benemérita Universidad Autónoma de Puebla (BUAP) - Facultad de Ingeniería, Shahid Chamran University of Ahvaz and Benemérita Universidad Autónoma de Puebla (BUAP)
Downloads 37 (1,222,651)

Abstract:

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B36N36 cages, Isomers, Magnetism, DFT theory