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J

José L. Gázquez

universidad autónoma metropolitana-iztapalapa

35H指数
133论文数
5.6K被引数
收录论文 28
发表时间
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Conceptual density functional theory for interacting species用于相互作用物种的概念密度泛函理论
errPhysical Chemistry Chemical Physics
IF2.9
err2026-09-02
err0
PREAI
errJosé L. Gázquez Corresponding Author; Maurizio A. Pantoja-Hernández; Marco Franco-Pérez; Ramón Alain Miranda-Quintana
err分享
err收藏
Global, local and non-local reactivity descriptors in conceptual density functional theory概念密度泛函理论中的全局、局域和非局域反应性描述符
errJOURNAL OF CHEMICAL SCIENCES
IF2
err2025-12-05
err0
PREAI
errZeron, Paulino; Pantoja-Hernandez, Maurizio A.; Franco-Perez, Marco; Gazquez, Jose L.
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An elementary derivation of the |Δμ| big is good rule and its implications in several reactivity principles|Δμ|大的有利规则的初等推导及其在几个反应性原理中的含义
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-05
err0
PREAI
errGazquez, Jose L.; Franco-Perez, Marco
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Constrained dipole moment density functional theory for the calculation of the charge-transfer energy in non-covalent complexes非共价配合物电荷转移能的约束偶极矩密度泛函理论
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-28
err0
PREAI
errZuniga-Rivera, Eduardo; Carmona-Espindola, Javier; Gazquez, Jose L.
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Generalized quadratic model for charge transfer电荷转移的广义二次模型
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errAlbavera-Mata, Angel; Gazquez, Jose Luis; Vela, Alberto
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Charge-transfer energy through the dipole moment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-12-17
err1
PREAI
errCarmona-Espindola, Javier; Flores, Anaid; Ireta, Joel; Gazquez, Jose L.
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ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-08
err1
PREAI
errCarmona-Espindola, Javier; Garcia-Melgarejo, Valeria; Nunez-Rojas, Edgar; Mendoza, Samantha; Garcia, Abraham; Gazquez, Jose L.; Alejandre, Jose
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Temperature and external fields in conceptual density functional theory
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errFranco-Perez, Marco; Heidar-Zadeh, Farnaz; Ayers, Paul W.; De Proft, Frank; Vela, Alberto; Gazquez, Jose L.; Geerlings, Paul
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Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional (vol 157, 114109, 2022)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-10
err0
errOAAI
errCarmona-Espindola, Javier; Flores, Anaid; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
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Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-20
err5
PREAI
errCarmona-Espindola, Javier; Flores, Anaid; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
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Analysis of the kinetic energy functional in the generalized gradient approximation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-23
err8
PREAI
errFrancisco, Hector I.; Carmona-Espindola, Javier; Gazquez, Jose L.
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Generalized gradient approximations with local parameters具有局部参数的广义梯度逼近
errPHYSICAL REVIEW B
IF3.7
err2020-07-16
err12
errOAAI
errAlbavera-Mata, Angel; Botello-Mancilla, Karla; Trickey, S. B.; Gazquez, Jose L.; Vela, Alberto
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Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-30
err14
PREAI
errCarmona-Espindola, Javier; Nunez-Rojas, Edgar; Garcia-Melgarejo, Valeria; Gazquez, Jose L.; Alejandre, Jose
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Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-11-27
err24
PREAI
errCarmona-Espindola, Javier; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
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Chemical hardness: Temperature dependent definitions and reactivity principles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-28
err17
PREAI
errMiranda-Quintana, Ramon Alain; Franco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
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Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role Played by the Electronic Entropy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-18
err25
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
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Thermodynamic responses of electronic systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-09-06
err21
PREAI
errFranco-Perez, Marco; Ayers, Paul W.; Gazquez, Jose L.; Vela, Alberto
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Thermodynamic hardness and the maximum hardness principle
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-08-18
err22
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
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Local and linear chemical reactivity response functions at finite temperature in density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-12-29
err57
PREAI
errFranco-Perez, Marco; Ayers, Paul W.; Gazquez, Jose L.; Vela, Alberto
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Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-10-19
err82
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
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研究方向

暂时未获取到该数据
合作学者
合作期刊
P
Paul W. Ayers
H 指数: 76 · 论文数: 518
P
Pratim Kumar Chattaraj
H 指数: 72 · 论文数: 607
P
Paul Geerlings
H 指数: 68 · 论文数: 674
F
Frank De Proft
H 指数: 67 · 论文数: 725
S
S. B. Trickey
H 指数: 45 · 论文数: 307
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