| Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures M Franco-Pérez, JL Gázquez, PW Ayers, A Vela The Journal of chemical physics 143 (15), 2015 | 97 | 2015 |
| Local and linear chemical reactivity response functions at finite temperature in density functional theory M Franco-Pérez, PW Ayers, JL Gázquez, A Vela The Journal of chemical physics 143 (24), 2015 | 73 | 2015 |
| An explicit approach to conceptual density functional theory descriptors of arbitrary order F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ... Chemical Physics Letters 660, 307-312, 2016 | 68 | 2016 |
| Electronegativities of Pauling and Mulliken in density functional theory M Franco-Pérez, JL Gázquez The Journal of Physical Chemistry A 123 (46), 10065-10071, 2019 | 58 | 2019 |
| First-Principles Prediction of the pKas of Anti-inflammatory Oxicams J Ho, ML Coote, M Franco-Pérez, R Gómez-Balderas The Journal of Physical Chemistry A 114 (44), 11992-12003, 2010 | 58 | 2010 |
| Temperature‐dependent approach to chemical reactivity concepts in density functional theory JL Gázquez, M Franco‐Pérez, PW Ayers, A Vela International Journal of Quantum Chemistry 119 (2), e25797, 2019 | 57 | 2019 |
| Revisiting the definition of local hardness and hardness kernel CA Polanco-Ramírez, M Franco-Pérez, J Carmona-Espíndola, ... Physical Chemistry Chemical Physics 19 (19), 12355-12364, 2017 | 38 | 2017 |
| Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case M Franco-Pérez, F Heidar-Zadeh, PW Ayers, JL Gázquez, A Vela Physical Chemistry Chemical Physics 19 (18), 11588-11602, 2017 | 35 | 2017 |
| Thermodynamic responses of electronic systems M Franco-Pérez, PW Ayers, JL Gázquez, A Vela The Journal of Chemical Physics 147 (9), 2017 | 33 | 2017 |
| Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory M Franco-Pérez, PW Ayers, JL Gázquez, A Vela Physical Chemistry Chemical Physics 19 (21), 13687-13695, 2017 | 33 | 2017 |
| Thermodynamic hardness and the maximum hardness principle M Franco-Pérez, JL Gázquez, PW Ayers, A Vela The Journal of chemical physics 147 (7), 2017 | 32 | 2017 |
| Average electronic energy is the central quantity in conceptual chemical reactivity theory M Franco-Pérez, PW Ayers, JL Gázquez Theoretical Chemistry Accounts 135 (8), 199, 2016 | 30 | 2016 |
| Thermodynamic justification for the parabolic model for reactivity indicators with respect to electron number and a rigorous definition for the electrophilicity: The essential … M Franco-Perez, JL Gazquez, PW Ayers, A Vela Journal of Chemical Theory and Computation 14 (2), 597-606, 2018 | 29 | 2018 |
| Local and nonlocal counterparts of global descriptors: the cases of chemical softness and hardness M Franco-Pérez, CA Polanco-Ramírez, JL Gázquez, PW Ayers Journal of Molecular Modeling 24, 1-8, 2018 | 28 | 2018 |
| Local electrophilicity A Robles, M Franco-Pérez, JL Gázquez, C Cárdenas, P Fuentealba Journal of Molecular Modeling 24, 1-12, 2018 | 28 | 2018 |
| Chemical hardness: Temperature dependent definitions and reactivity principles RA Miranda-Quintana, M Franco-Pérez, JL Gázquez, PW Ayers, A Vela The Journal of Chemical Physics 149 (12), 2018 | 25 | 2018 |
| [Cu(H2O) n ]2+ (n = 1–6) complexes in solution phase: a DFT hierarchical study EA Galván-García, E Agacino-Valdés, M Franco-Pérez, ... Theoretical Chemistry Accounts 136, 1-14, 2017 | 22 | 2017 |
| New Fukui, dual and hyper-dual kernels as bond reactivity descriptors M Franco-Pérez, CA Polanco-Ramírez, PW Ayers, JL Gázquez, A Vela Physical Chemistry Chemical Physics 19 (24), 16095-16104, 2017 | 22 | 2017 |
| Electronic chemical response indexes at finite temperature in the canonical ensemble M Franco-Pérez, JL Gázquez, A Vela The Journal of Chemical Physics 143 (2), 2015 | 22 | 2015 |
| Thermodynamic dual descriptor M Franco-Perez, JL Gázquez, PW Ayers, A Vela, FP Marco, LG José 物理化学学报 34 (6), 683-391, 2018 | 17 | 2018 |
José L. GázquezProfessor of Chemistry, Universidad Autónoma Metropolitana-IztapalapaПотвърден имейл адрес: xanum.uam.mx