José L. Gázquez
Universidad Autónoma Metropolitana
H-index: 37
Latin America-Mexico
Top articles of José L. Gázquez
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Study of a smooth interpolation between Hirshfeld and iterative Hirshfeld population analyses | Computational and Theoretical Chemistry | Javier Carmona-Espíndola José L Gázquez | 2023/11/1 |
Perturbed reactivity descriptors in the two parabolas model of fractional electron number | Theoretical Chemistry Accounts | Maurizio A Pantoja-Hernández Marco Franco-Pérez Ramón Alain Miranda-Quintana José L Gázquez | 2023/10 |
A conceptual density functional theory approach to substituent effects in fluorescence processes: The case of naphthalimide derivatives | International Journal of Quantum Chemistry | Alejandro Piedras Javier Carmona‐Espíndola Rubén Arroyo José L Gázquez | 2023/9/15 |
Perturbed reactivity descriptors in the grand canonical ensemble | Molecular Physics | Maurizio A Pantoja-Hernández Marco Franco-Pérez Ramón Alain Miranda-Quintana José L Gázquez | 2023/4/13 |
Can we predict ambident regioselectivity using the chemical hardness? | Physical Chemistry Chemical Physics | Ramón Alain Miranda-Quintana Alberto Vela Frank De Proft Marco Martínez González José L Gázquez | 2023 |
Finite Temperature Conceptual Density Functional Theory | Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory | José L Gázquez Marco Franco‐Pérez | 2022/6/7 |
Charge transfer excitations and constrained density functional theory | Theoretical Chemistry Accounts | Javier Carmona-Espíndola José L Gázquez | 2022/1 |
Publisher’s Note:“Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional”[J. Chem. Phys. 157, 114109 (2022)] | The Journal of Chemical Physics | Javier Carmona-Espíndola Anaid Flores José L Gázquez Alberto Vela SB Trickey | 2022/10/14 |
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional | The Journal of Chemical Physics | Javier Carmona-Espíndola Anaid Flores José L Gázquez Alberto Vela SB Trickey | 2022/9/21 |
Charge Transfer Models in Conceptual DFT | Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory | Alberto Vela José L Gázquez Ulises Orozco‐Valencia | 2022/6/7 |
Conceptual density functional theory in the grand canonical ensemble | Chemical reactivity in confined systems: Theory, Modelling and Applications | José L Gázquez Marco Franco‐Pérez Paul W Ayers Alberto Vela | 2021/8/23 |
Perturbation approach to constrained electron transfer in density functional theory | Theoretical Chemistry Accounts | Javier Carmona-Espíndola José L Gázquez | 2021/7 |
Analysis of the kinetic energy functional in the generalized gradient approximation | The Journal of Chemical Physics | Héctor I Francisco Javier Carmona-Espíndola José L Gázquez | 2021/2/28 |
Assessment of DFAs in predicting the magnetization of transition metal solids | Bulletin of the American Physical Society | Alberto Vela Karla Botello Mancilla Angel Albavera Mata Samuel Trickey Jose Gazquez | 2020/3/2 |
Study of organic reactions using chemical reactivity descriptors derived through a temperature-dependent approach | Theoretical Chemistry Accounts | Marco Franco-Pérez Carlos A Polanco-Ramírez José L Gázquez Paul W Ayers Alberto Vela | 2020/3 |
Conceptual density functional theory: status, prospects, issues | Theoretical Chemistry Accounts | Paul Geerlings Eduardo Chamorro Pratim Kumar Chattaraj Frank De Proft José L Gázquez | 2020/2 |
Negative electron affinities and derivative discontinuity contribution from a generalized gradient approximation exchange functional | The Journal of Physical Chemistry A | Javier Carmona-Espíndola José L Gázquez Alberto Vela SB Trickey | 2020/1/24 |
Generalized gradient approximations with local parameters | Physical Review B | Angel Albavera-Mata Karla Botello-Mancilla SB Trickey José L Gázquez Alberto Vela | 2020/7/16 |
Temperature-Dependent Approach to Electronic Charge Transfer | The Journal of Physical Chemistry A | Marco Franco-Pérez José L Gázquez Paul W Ayers Alberto Vela | 2020/6/5 |
Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids | The Journal of Chemical Physics | Javier Carmona-Espíndola Edgar Núñez-Rojas Valeria García-Melgarejo José L Gázquez José Alejandre | 2020/3/31 |
