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J

Javier Carmona‐Espíndola

universidad autonoma metropolitana - mexico
H指数:11
被引数:587
浏览量:0

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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

JOURNAL OF CHEMICAL PHYSICS
IF3.1
2025-03-280
PRE
Zuniga-Rivera, Eduardo; Carmona-Espindola, Javier; Gazquez, Jose L.
Charge-transfer energy through the dipole moment
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2024-12-171
PRE
Carmona-Espindola, Javier; Flores, Anaid; Ireta, Joel; Gazquez, Jose L.
ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2024-10-081
PRE
Carmona-Espindola, Javier; Garcia-Melgarejo, Valeria; Nunez-Rojas, Edgar; Mendoza, Samantha; Garcia, Abraham; Gazquez, Jose L.; Alejandre, Jose
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional (vol 157, 114109, 2022)
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2022-10-100
OA
Carmona-Espindola, Javier; Flores, Anaid; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2022-09-205
PRE
Carmona-Espindola, Javier; Flores, Anaid; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
Analysis of the kinetic energy functional in the generalized gradient approximation
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2021-02-238
PREAI
Francisco, Hector I.; Carmona-Espindola, Javier; Gazquez, Jose L.
Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2020-03-3014
PREAI
Carmona-Espindola, Javier; Nunez-Rojas, Edgar; Garcia-Melgarejo, Valeria; Gazquez, Jose L.; Alejandre, Jose
Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
2018-11-2724
PREAI
Carmona-Espindola, Javier; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2015-02-0445
PREAI
Carmona-Espindola, Javier; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
deMon2k
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
2011-11-21161
PREAI
Geudtner, Gerald; Calaminici, Patrizia; Carmona-Espindola, Javier; Martin del Campo, Jorge; Daniel Dominguez-Soria, Victor; Flores Moreno, Robert; Ulises Gamboa, Gabriel; Goursot, Annick; Koester, Andreas M.; Reveles, Jose Ulises; Mineva, Tzonka; Manuel Vasquez-Perez, Jose; Vela, Alberto; Zuninga-Gutierrez, Bernardo; Salahub, Dennis R.
Time-dependent auxiliary density perturbation theory
JOURNAL OF CHEMICAL PHYSICS
IF3.1
2010-08-2331
PREAI
Carmona-Espindola, Javier; Flores-Moreno, Roberto; Koester, Andreas M.

研究方向

暂未获取到该数据
J
José L. Gázquez
H 指数:35论文数:133被引数:5,606
A
Alberto Vela
H 指数:42论文数:237被引数:7,464
S
S. B. Trickey
H 指数:45论文数:308被引数:1.0万
A
Anaid Flores
H 指数:3论文数:7被引数:26
J
José Alejandre
H 指数:36论文数:112被引数:5,426
A
Andreas M. Köster
H 指数:41论文数:211被引数:6,256
V
Valeria García-Melgarejo
H 指数:5论文数:7被引数:92
E
Edgar Núñez-Rojas
H 指数:12论文数:29被引数:361
R
Roberto Flores‐Moreno
H 指数:23论文数:92被引数:1,683
T
Tzonka Mineva
H 指数:28论文数:162被引数:6,975