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Marco Franco-Pérez
Marco Franco-Pérez
Facultad de Química, UNAM
Verified email at comunidad.unam.mx
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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), 2015
812015
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
662015
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
542016
First-Principles Prediction of the pKas of Anti-inflammatory Oxicams
J Ho, ML Coote, M Franco-Perez, R Gomez-Balderas
The Journal of Physical Chemistry A 114 (44), 11992-12003, 2010
542010
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
432019
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
392019
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
332017
Thermodynamic hardness and the maximum hardness principle
M Franco-Pérez, JL Gázquez, PW Ayers, A Vela
The Journal of chemical physics 147 (7), 2017
302017
Thermodynamic responses of electronic systems
M Franco-Pérez, PW Ayers, JL Gázquez, A Vela
The Journal of Chemical Physics 147 (9), 2017
282017
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
282017
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
262018
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
262017
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
262016
Local electrophilicity
A Robles, M Franco-Pérez, JL Gázquez, C Cárdenas, P Fuentealba
Journal of Molecular Modeling 24, 1-12, 2018
212018
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
202018
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
202018
[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
192017
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
192015
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
162017
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
142018
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Articles 1–20