Alan Miralrio

14PUBLICATIONS
29CO-AUTHORS
Theoretical quantum chemistryMain group metal chemistryMetal cluster chemistryCheminformatics and quantitative structure-activity relationshipsEnvironmentally sustainable engineering
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Publications (14)

|Sep 18, 2026
Adsorption and Dissociation Energy Barriers of H2O, H2, CO, CO2, NH3, CH4, NO, and NO2 on (ZnO)12 Nanobubbles by First-Principles Calculations.

|May 18, 2026
Trimetallic Defects on MoS2 Monolayers toward the Adsorption of Diatomic Pollutants.

|Sep 08, 2025
Holmium(III)-Carbon Nanodots Hybrid for Fluorescent Quenching Effect in the Oxalate Detection (C2O4)2- and Their Different Photoinduced Charge Transfer Processes.

Jonathan-Siu-Loong Robles-Hernández, Ivan Humberto Hernández Sánchez, Alfredo Jiménez-Mondragón

|Sep 25, 2024
AI-assisted models to predict chemotherapy drugs modified with C60 fullerene derivatives.

Jonathan-Siu-Loong Robles-Hernández, Dora Iliana Medina, Katerin Aguirre-Hurtado

|Oct 28, 2023
Gas Sensing and Half-Metallic Materials Design Using Metal Embedded into S Vacancies in WS2 Monolayers: Adsorption of NO, CO, and O2 Molecules.

Eduardo Rangel-Cortes, José Pablo Garcia-Islas, Josue Gutierrez-Rodriguez

|Jun 28, 2023
Substitutional Coinage Metals as Promising Defects for Adsorption and Detection of Gases on MoS2 Monolayers: A Computational Approach.

Josue Gutierrez-Rodriguez, Miguel Castro, Jose Manuel Nieto-Jalil

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Frequent Collaborators

3 joint publications

Miguel Castro

3 joint publications

Dora Iliana Medina

2 joint publications

Jose Manuel Nieto-Jalil

2 joint publications

Ricardo Orozco-Cruz