Academic Work

• ORCID
• Google scholar
• Scopus

Sites of interest

• Academic record on campus

Sustainable Development Goals

Research interests

• Density functional theory
• Chemical reactivity

Profile

Professor José Luis Gázquez Mateos was born in México City in 1948. He did his undergraduate studies in Chemical Engineering in the Faculty of Chemistry of the Universidad Nacional Autónoma de México (UNAM), from 1967 to 1971, and his graduate studies in Theoretical Physical Chemistry (Ph. D.) in The Johns Hopkins University from 1971 to 1976. He returned to México to work in the Faculty of Chemistry of UNAM from 1976 to 1982, and from 1982 to 2001 in the Department of Chemistry of the Universidad Autónoma Metropolitana, Iztapalapa Campus. In both institutions he carried out research and teaching activities. He is Emeritus National Researcher of the National Researchers System.

In the Universidad Autónoma Metropolitana he was Head of the Quantum Chemistry Group (1983-1985), Head of the Department of Chemistry (1985-1989), Dean of the Basic Sciences and Engineering Division (1990-1994), President of the Iztapalapa Campus of the Universidad Autónoma Metropolitana (1994-1997) and President of the Universidad Autónoma Metropolitana (1997-2001).

From January 2002 to May 2005 he worked in the Instituto Mexicano del Petróleo, where he was first Academic Coordinator of Graduate Studies and then became Executive Director of Research and Graduate Studies.

His work in research in theoretical chemistry has been focused in the development of density functional theory and its applications to the study of chemical reactivity.

He has 102 research articles in international journals and 8 chapters in books. His work has received over 5,500 citations until December 2021. He has given 43 invited conferences, and has 91 additional presentations in national and international events. He has been advisor of 8 thesis at the doctorate level, 4 at the Masters and 4 at the Bachelors. He has also written books oriented to the teaching of certain subjects.

He has participated in many meetings related with higher education and research in México, and he has formed part of various committees that were established to evaluate programs and projects in various fields of basic sciences.

Since June 2005 he has been working again as professor of the Department of Chemistry of the Division of Basic Sciences and Engineering of the Universidad Autónoma Metropolitana, Iztapalapa Campus. On November 24, 2009, the Academic Council of the Universidad Autónoma Metropolitana named him Distinguished Professor.

Information provided by the academic staff

Research interests

• Density functional theory
• Chemical reactivity

Academic Work

On the following pages you can consult the research work:

• Google scholar

See publications

• Scopus

See publications

• ORCID

See publications

Other sites of interest

Consult the research work on other websites:

• Academic record on campus

See information

Some examples of publications

Select the bibliographic reference to consult each publication:

Open Access	References	UN SDGs
OA	Albavera-Mata, A., Gázquez, J.L., Vela, A. (2025).Generalized quadratic model for charge transfer. Physical Chemistry Chemical Physics,27(21) 11318-11330
OA	Franco-Pérez, M., Gázquez, J.L. (2025).Charge Transfer Is Promoted by Electronic Heat Exchange in Atoms and Molecules. Journal of Physical Chemistry Letters,16(9) 2283-2294
OA	Zerón, P., Pantoja-Hernández, M.A., Franco-Pérez, M. and 1 more (...) (2025).Local and non-local chemical potential and hardness: a grand canonical ensemble approach. Journal of Molecular Modeling,31(3)
	Gázquez, J.L., Franco-Pérez, M. (2025).An elementary derivation of the “\|Δμ\| big is good” rule and its implications in several reactivity principles. Journal of Chemical Physics,162(17)
	Zúñiga-Rivera, E., Carmona-Espíndola, J., Gázquez, J.L. (2025).Constrained dipole moment density functional theory for the calculation of the charge-transfer energy in non-covalent complexes. Journal of Chemical Physics,162(12)
	Zerón, P., Pantoja-Hernández, M.A., Franco-Pérez, M. and 1 more (...) (2025).Global, local and non-local reactivity descriptors in conceptual density functional theory. Journal of Chemical Sciences,137(4)
OA	Carmona-Espíndola, J., García-Melgarejo, V., Núñez-Rojas, E. and 4 more (...) (2024).ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations. Journal of Chemical Physics,161(14)
OA	Carmona-Espíndola, J., Flores, A., Ireta, J. and 1 more (...) (2024).Charge-transfer energy through the dipole moment. Journal of Chemical Physics,161(23)
	Gázquez, J.L., Zerón, P., Pantoja-Hernández, M.A. and 1 more (...) (2024).Local and Nonlocal Descriptors of the Site and Bond Chemical Reactivity of Molecules. Electron Density: Concepts, Computation and DFT Applications,35-52
OA	Franco-Pérez, M., Heidar-Zadeh, F., Ayers, P.W. and 4 more (...) (2024).Temperature and external fields in conceptual density functional theory. Chemical Science,15(48) 20090-20121
	Miranda-Quintana, R.A., Vela, A., De Proft, F. and 2 more (...) (2023).Can we predict ambident regioselectivity using the chemical hardness?. Physical Chemistry Chemical Physics,
	Pantoja-Hernández, M.A., Franco-Pérez, M., Miranda-Quintana, R.A. and 1 more (...) (2023).Perturbed reactivity descriptors in the two parabolas model of fractional electron number. Theoretical Chemistry Accounts,142(10)
	Pantoja-Hernández, M.A., Franco-Pérez, M., Miranda-Quintana, R.A. and 1 more (...) (2023).Perturbed reactivity descriptors in the grand canonical ensemble. Molecular Physics,
	Carmona-Espíndola, J., Gázquez, J.L. (2023).Study of a smooth interpolation between Hirshfeld and iterative Hirshfeld population analyses. Computational and Theoretical Chemistry,1229
	Piedras, A., Carmona-Espíndola, J., Arroyo, R. and 1 more (...) (2023).A conceptual density functional theory approach to substituent effects in fluorescence processes: The case of naphthalimide derivatives. International Journal of Quantum Chemistry,123(18)
	Carmona-Espíndola, J., Flores, A., Gázquez, J.L. and 2 more (...) (2022).Erratum: Publisher's Note: Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional (Journal Chemical Physics (2022) 157 (114109) DOI: 10.1063/5.0096678). Journal of Chemical Physics,157(14)
	Carmona-Espíndola, J., Flores, A., Gázquez, J.L. and 2 more (...) (2022).Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional. Journal of Chemical Physics,157(11)
	Gázquez, J.L., Franco-Pérez, M. (2022).Finite Temperature Conceptual Density Functional Theory. Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory: Volume 1,1137-160
	Carmona-Espíndola, J., Gázquez, J.L. (2022).Charge transfer excitations and constrained density functional theory. Theoretical Chemistry Accounts,141(1)
	Vela, A., Gázquez, J.L., Orozco-Valencia, U. (2022).Charge Transfer Models in Conceptual DFT. Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory: Volume 1,1209-228
	Gázquez, J.L., Franco-Pérez, M., Ayers, P.W. and 1 more (...) (2021).Conceptual density functional theory in the grand canonical ensemble. Chemical Reactivity in Confined Systems: Theory, Modelling and Applications,191-211
	Carmona-Espíndola, J., Gázquez, J.L. (2021).Perturbation approach to constrained electron transfer in density functional theory. Theoretical Chemistry Accounts,140(7)
	Francisco, H.I., Carmona-Espíndola, J., Gázquez, J.L. (2021).Analysis of the kinetic energy functional in the generalized gradient approximation. Journal of Chemical Physics,154(8)
OA	Geerlings, P., Chamorro, E., Chattaraj, P.K. and 7 more (...) (2020).Conceptual density functional theory: status, prospects, issues. Theoretical Chemistry Accounts,139(2)
OA	Albavera-Mata, A., Botello-Mancilla, K., Trickey, S.B. and 2 more (...) (2020).Generalized gradient approximations with local parameters. Physical Review B,102(3)
	Carmona-Espíndola, J., Gázquez, J.L., Vela, A. and 1 more (...) (2020).Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional. Journal of Physical Chemistry A,124(7) 1334-1342
	Franco-Pérez, M., Gázquez, J.L., Ayers, P.W. and 1 more (...) (2020).Temperature-Dependent Approach to Electronic Charge Transfer. Journal of Physical Chemistry A,124(26) 5465-5473
	Franco-Pérez, M., Polanco-Ramírez, C.A., Gázquez, J.L. and 2 more (...) (2020).Study of organic reactions using chemical reactivity descriptors derived through a temperature-dependent approach. Theoretical Chemistry Accounts,139(3)
	Carmona-Espíndola, J., Núñez-Rojas, E., Garciá-Melgarejo, V. and 2 more (...) (2020).Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids. Journal of Chemical Physics,152(12)

Courses taught by the professor in recent trimesters

*Courses are conducted in spanish

Num.	Trim.	Course Name	Level
1	25O	Introducción a la Investigación I	Posgrado
2	25O	Estructura Atómica y Molecular	Posgrado
3	25P	Teoría de Funcionales de la Densidad	Posgrado
4	25I	Estructura Atómica y Molecular	Posgrado
5	24P	Teoría de Funcionales de la Densidad	Posgrado
6	24I	Estructura Atómica y Molecular	Posgrado
7	24I	Teoría de Funcionales de la Densidad	Posgrado
8	23O	Trabajo de Investigación VI	Posgrado
9	23P	Trabajo de Investigación V	Posgrado
10	23I	Trabajo de Investigación IV	Posgrado
11	22O	Trabajo de Investigación III	Posgrado
12	22P	Introducción al Computo Científico	Posgrado
13	22P	Trabajo de Investigación II	Posgrado
14	22P	Trabajo de Investigación VI	Posgrado
15	22I	Estructura Atómica y Molecular	Posgrado
16	22I	Trabajo de Investigación I	Posgrado
17	22I	Trabajo de Investigación V	Posgrado

Information provided by the Dirección de Sistemas Escolares

Return to list