C-, N-, S-, and F-Doped Anatase TiO2 (101) with Oxygen Vacancies: Photocatalysts Active in the Visible Region JC González-Torres, E Poulain, V Domínguez-Soria, R García-Cruz, ... International Journal of Photoenergy 2018, 2018 | 27 | 2018 |
Effect of Spin Multiplicity in O2 Adsorption and Dissociation on Small Bimetallic AuAg Clusters R García-Cruz, E Poulain, I Hernández-Pérez, JA Reyes-Nava, ... The Journal of Physical Chemistry A 121 (32), 6079-6089, 2017 | 15 | 2017 |
Optical properties of anatase TiO2: synergy between transition metal doping and oxygen vacancies JC González-Torres, LA Cipriano, E Poulain, V Dominguez-Soria, ... Journal of Molecular Modeling 24, 1-11, 2018 | 10 | 2018 |
The N2O activation by Rh5 clusters. A quantum chemistry study O Olvera-Neria, R Avilés, H Francisco-Rodríguez, V Bertin, R García-Cruz, ... Journal of Molecular Modeling 21, 1-10, 2015 | 5 | 2015 |
The π back-donation influence in CO oxidation on small and oxidized Au–Ag clusters R García-Cruz, J Gonzalez-Torres, A Montoya-Moreno, ... Chemical Physics 556, 111462, 2022 | 3 | 2022 |
Strongly Bound Frenkel Excitons on TiO2 Nanoparticles: An Evolutionary and DFT Approach O Olvera-Neria, R García-Cruz, J Gonzalez-Torres, LM García-Cruz, ... International Journal of Photoenergy 2024, 2024 | | 2024 |
Adsorción de especies de arsénico en estructuras de imidazolato zeolíticas modificadas. Un estudio químico cuántico computacional JC González Torres, AA Castañeda Ramírez, R García Cruz, ... Universidad Autónoma Metropolitana (México). Unidad Azcapotzalco. División …, 2022 | | 2022 |
Sitios de sustitución de Si por Al más probables en la zeolita tipo M²⁺–Clinoptilolita: estudio de la DFT LA Álvarez Valencia, I Hernández Pérez, R García Cruz, ... Universidad Autónoma Metropolitana (México). Unidad Azcapotzalco. División …, 2021 | | 2021 |
AU N Rh M (N+ M= 13) Clusters: Search of Global Minima Through Evolutionary Algorithms. The Aurh Composition Effect on Co Adsorption O Olvera-Neria, R García-Cruz, V Domínguez-Soria, LM García-Cruz, ... The Aurh Composition Effect on Co Adsorption, 0 | | |