| Conformational analysis on protonation and deprotonation of calmagite in protic solvents and its reactivity through Fukui function ZN Cisneros-García, PG Nieto-Delgado, JG Rodríguez-Zavala Dyes and Pigments 121, 188-198, 2015 | 11 | 2015 |
| Molecular structure and electron accepting-donating capacity of hydroxylated La@ C82 endohedral metallofullerene ZN Cisneros-García, JG Rodríguez-Zavala Chemical Physics 523, 114-123, 2019 | 9 | 2019 |
| Improvement of photovoltaic-related parameters through bromination and the role of chlorine, bromine, iodine, and dehalogenation in the fluorinated Y6 small molecule A Romo-Gutiérrez, ZN Cisneros-García, JG Rodríguez-Zavala Molecular physics 120 (23), e2135466, 2022 | 8 | 2022 |
| Impact of the endohedral and exohedral functionalization of C80-Ih fullerene on its antiradical (antioxidant and antireductant) character CI Méndez-Barrientos, ZN Cisneros-García, JG Rodríguez-Zavala Chemical Physics 544, 111122, 2021 | 4 | 2021 |
| Electronic structure of hydroxylated La@C82 endohedral metallofullerene: implications on photovoltaic cells ZN Cisneros-García, DA Hernández, FJ Tenorio, JG Rodríguez-Zavala Molecular Physics 118 (14), e1705411, 2020 | 4 | 2020 |
| Evaluating the impact of structural and rotational isomerization, as well as halogenation, on Y18 and Y18-ID small molecule acceptors: A DFT and TD-DFT study ZN Cisneros-García, RA Guirado-López, JG Rodríguez-Zavala, ... Computational and Theoretical Chemistry 1236, 114581, 2024 | 2 | 2024 |
| Enhancing photovoltaic performance: Exploring quinoxaline donors in conjunction with Y6 and BTP-4Br small molecule acceptors via DFT calculations A Romo-Gutiérrez, ZN Cisneros-García, JG Rodríguez-Zavala Materials Today Communications 37, 107382, 2023 | 2 | 2023 |
| Moléculas con la misma geometría pero distintas propiedades electrónicas JGR Zavala, ZNC García, AR Gutiérrez Contactos, Revista de Educación en Ciencias e Ingeniería, 93-98, 2024 | | 2024 |
| Role of chlorine, bromine, iodine, and dehalogenation in the fluorinated small molecule Y6 for highly efficient organic solar cells. A Romo-Gutierrez, Z Cisneros-Garcia, J Rodriguez-Zavala | | 2021 |
| DFT Calculations and Statistical Mechanics Applied to Isomerization of Pseudosaccharins ZN Cisneros-García, DA Hernández-Velázquez, FJ Tenorio, ... Density Functional Calculations-Recent Progresses of Theory and Application, 2017 | | 2017 |
| TD-DFT calculations and thermal effects on conformers of calmagite in protic solvents varying the degree of protonation ZN Cisneros-García, VF Mara non-Ruiz, JG Rodríguez-Zavala Journal of molecular modeling 22, 1-12, 2016 | | 2016 |
| Insights into Halogen Atom Effects on Donor-Acceptor Complexes in Organic Solar Cells: A Dft Study on Quinoxylated Donors Family A Romo-Gutiérrez, ZN Cisneros-García, CI Méndez-Barrientos, ... Available at SSRN 4899301, 0 | | |
| “BENCHMARK” PARA UN ESTUDIO EN EL MARCO DE LA TEORÍA DEL FUNCIONAL DE LA DENSIDAD: EL CASO DE DOS SISTEMAS ACEPTORES DE ELECTRONES EN CELDAS SOLARES ORGÁNICAS AR Gutiérrez, ZNC García, JGR Zavala | | |
| Maestría en Ciencia y Tecnología ZNC García, JGR Zavala, FJT Rangel | | |
