Structure and energetics of polyhydroxylated carbon fullerenes JG Rodríguez-Zavala, RA Guirado-López
Physical Review B 69 (7), 075411, 2004
46 2004 Stability of Highly OH-Covered C60 Fullerenes: Role of Coadsorbed O Impurities and of the Charge State of the Cage in the Formation of Carbon-Opened … JG Rodriguez-Zavala, RA Guirado-Lopez
The Journal of Physical Chemistry A 110 (30), 9459-9468, 2006
41 2006 Molecular films based on polythiophene and fullerol: theoretical and experimental studies ME Rincón, RA Guirado-López, JG Rodríguez-Zavala, ...
Solar energy materials and solar cells 87 (1-4), 33-47, 2005
24 2005 Theoretical study on the sequential hydroxylation of C82 fullerene based on Fukui function JG Rodríguez-Zavala, FJ Tenorio, C Samaniego, CI Méndez-Barrientos, ...
Molecular Physics 109 (14), 1771-1783, 2011
20 2011 Modifying the endohedral La-ion location in both neutral and positively charged polyhydroxylated metallofullerenes JG Rodríguez-Zavala, I Padilla-Osuna, RA Guirado-López
Physical Review B 78 (15), 155426, 2008
18 2008 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 13C NMR and Fukui function analysis on C82 hydroxylated fullerene through density functional theory CI Méndez-Barrientos, R Flores-Moreno, J Muñoz-Maciel, ...
Molecular Physics 112 (15), 1987-1999, 2014
11 2014 Local reactivity through fukui function on endohedral mono-metallofullerenes JG Rodríguez-Zavala
Physica E: Low-Dimensional Systems and Nanostructures 105, 186-195, 2019
10 2019 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
8 2019 Auxiliary density perturbation theory for restricted open-shell systems G Guzmán-Ramírez, FJ Tenorio, JG Rodríguez-Zavala, R Flores-Moreno
Journal of the Mexican Chemical Society 56 (3), 325-330, 2012
8 2012 DFT study of antioxidant molecules from traditional Japanese and Chinese teas: comparing allylic and phenolic antiradical activity DA Hernandez, JG Rodriguez-Zavala, FJ Tenorio
Structural Chemistry 31 (1), 359-369, 2020
6 2020 Hydration behaviour of polyhydroxylated fullerenes JG Rodríguez-Zavala, RE Barajas-Barraza, I Padilla-Osuna, ...
Journal of Physics B: Atomic, Molecular and Optical Physics 44 (20), 205104, 2011
5 2011 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
4 2022 The role of tagging atoms on the thermal stability and vibrational behavior of Nb9 clusters DC Navarro-Ibarra, JG Rodriguez-Zavala, RA Guirado-Lopez
Journal of Physics and Chemistry of Solids 163, 110582, 2022
3 2022 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
3 2020 Phase recovery from interferograms under high amplitude vibrations J Muñoz-Maciel, FJ Casillas-Rodríguez, FG Peña-Lecona, ...
Optics Express 22 (25), 31387-31395, 2014
3 2014 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
2 2021 Ab Initio Study of 2 H Nuclear Quadrupole Coupling Constants in Deuterated Crystalline Oxalic Acid Dehydrated Polymorphs C Samaniego, JG Rodríguez-Zavala, FJ Tenorio, R Flores-Moreno
Molecular Crystals and Liquid Crystals 575 (1), 188-201, 2013
2 2013 Electronic structure and reactivity indexes of cobalt clusters, both pure and mixed with NO and JG Facio-Muñoz, DA Hernández-Velázquez, G Guzmán-Ramírez, ...
Journal of Molecular Modeling 28 (7), 197, 2022
1 2022 Telemetría de alto voltaje con alta sensibilidad por medio de un sensor de campo eléctrico basado en fibra óptica y un cristal fotorefractivo FG Peña-Lecona, C Castillo-Quevedo, J Muñoz-Maciel, ...
Científica 12 (2), 87-95, 2008
1 2008 