Marco Franco-Pérez
Marco Franco-Pérez
Facultad de Química, UNAM
Verified email at comunidad.unam.mx
Title
Cited by
Cited by
Year
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), 154103, 2015
492015
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
452010
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), 244117, 2015
372015
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
242016
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
182017
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
172017
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), 024112, 2015
152015
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
142017
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
142016
Thermodynamic hardness and the maximum hardness principle
M Franco-Pérez, JL Gázquez, PW Ayers, A Vela
The Journal of chemical physics 147 (7), 074113, 2017
112017
Thermodynamic responses of electronic systems
M Franco-Pérez, PW Ayers, JL Gázquez, A Vela
The Journal of chemical physics 147 (9), 094105, 2017
92017
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-Pérez, JL Gázquez, PW Ayers, A Vela
Journal of chemical theory and computation 14 (2), 597-606, 2018
82018
Tautomeric Ratio and Prototropic Equilibrium Constants of Tenoxicam, a 1H and 13C NMR Theoretical and Experimental Study
M Franco-Pérez, R Moya-Hernández, A Rojas-Hernández, A Gutiérrez, ...
The Journal of Physical Chemistry B 115 (46), 13593-13598, 2011
82011
[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 (3), 29, 2017
72017
UV–Visible properties of oxicams in solution: A TD‐DFT and experimental study
M Franco‐Pérez, LI Reyes‐García, R Moya‐Hernández, ...
International Journal of Quantum Chemistry 112 (22), 3637-3645, 2012
72012
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
62019
Local electrophilicity
A Robles, M Franco-Pérez, JL Gázquez, C Cárdenas, P Fuentealba
Journal of molecular modeling 24 (9), 245, 2018
62018
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
62017
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 (10), 285, 2018
42018
Thermodynamic Dual Descriptor
M Franco-Pérez, JL Gázquez, PW Ayers, A Vela, FP Marco, LG José
物理化学学报 34 (6), 683-391, 2018
42018
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Articles 1–20