| DeMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012 | 206 | 2012 |
| Theoretical study of the structure and properties of Na-MOR and H-MOR zeolite models VD Dominguez-Soria, P Calaminici, A Goursot The Journal of chemical physics 127 (15), 2007 | 43 | 2007 |
| Auxiliary density functional theory: from molecules to nanostructures P Calaminici, A Alvarez-Ibarra, D Cruz-Olvera, VD Dominguez-Soria, ... Handbook of computational chemistry, 1, 2016 | 42 | 2016 |
| Robust and efficient density fitting VD Domínguez-Soria, G Geudtner, JL Morales, P Calaminici, AM Köster The Journal of chemical physics 131 (12), 2009 | 40 | 2009 |
| Wiley Interdiscip G Geudtner, P Calaminici, J Carmona-Espíndola, JM del Campo, ... Rev.: Comput. Mol. Sci 2, 548-555, 2012 | 36 | 2012 |
| 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 (1), 7506151, 2018 | 33 | 2018 |
| Handbook of computational chemistry P Calaminici, VD Dominguez-Soria, R Flores-Moreno, GU Gamboa, ... Dordrecht: Springer 10, 978-94, 2016 | 32 | 2016 |
| Parallelization of three-center electron repulsion integrals P Calaminici, VD Domínguez-Soria, G Geudtner, E Hernández-Marín, ... Theoretical Chemistry Accounts 115, 221-226, 2006 | 28 | 2006 |
| Theoretical Study of Host− Guest Interactions in the Large and Small Cavities of MOR Zeolite Models VD Dominguez-Soria, P Calaminici, A Goursot The Journal of Physical Chemistry C 115 (14), 6508-6512, 2011 | 22 | 2011 |
| 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 | 12 | 2018 |
| Molecular graphs of Li n clusters (n= 2–6) from the density and the molecular electrostatic potential P Calaminici, VD Dominguez-Soria, G Geudtner, AM Köster Journal of Computational Methods in Sciences and Engineering 7 (5-6), 383-394, 2007 | 7 | 2007 |
| Molecular graphs of Lin, Nan and Cun (n= 6–9) clusters from the density and the molecular electrostatic potential G Geudtner, VD Domínguez-Soria, P Calaminici, AM Köster Computational and Theoretical Chemistry 1053, 337-342, 2015 | 6 | 2015 |
| Parallelization of the variational fitting of the Coulomb potential P Calaminici, VD Domínguez-Soria, G Geudtner, E Hernández-Marín, ... Superficies y vacío 18 (1), 1-5, 2005 | 6 | 2005 |
| 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 | 5 | 2022 |
| Comparison of molecular graphs of Lin, Nan and Cun (n = 2–5) clusters obtained from the density and the molecular electrostatic potential P Calaminici, VD Domínguez‐Soria, AM Köster International Journal of Quantum Chemistry 112 (22), 3624-3629, 2012 | 4 | 2012 |
| Introducción y desarrollo de las propiedades ópticas de los materiales JC Espinoza Tapia, I Hernández Pérez, L González Reyes, ... Universidad Autónoma Metropolitana (México). Unidad Azcapotzalco. División …, 2016 | 3 | 2016 |
| Theoretical study of the structure and properties of Na-MOR and H-MOR zeolite models VD Dominguez-Soria, P Calaminici, A Goursot Studies in surface science and catalysis 174, 717-720, 2008 | 2 | 2008 |
| Cálculo de la coordenada intrínseca de la reacción (IRC) para obtener ácido isocianídrico (HNC) a partir del ácido cianídrico (HCN) JC Espinoza Tapia, VD Domínguez Soria, Ó Olvera Neria, ... Universidad Autónoma Metropolitana (México). Unidad Azcapotzalco. División …, 2016 | 1 | 2016 |
| Estudio teórico de la ruta de degradación del sulfametoxazol vía radicales hidroxilo utilizando la Teoría de Funcionales de la Densidad GMG Selene, GTJ César, DSV Daniel, HP Isaías | | 2023 |
| Avance en el desarrollo de celdas solares con materiales tipo perovskita GTJ César, DSV Daniel, ON Óscar, CSJ Luis, MM Arnulfo | | 2023 |
