Spremljaj
Jorge M. del Campo
Jorge M. del Campo
Facultad de Química, UNAM
Preverjeni e-poštni naslov na unam.mx - Domača stran
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Leto
NWChem: Past, present, and future
M Valiev, HJJ van Dam, Y Alexeev, J Anchell, V Anisimov, FW Aquino, ...
J. Chem. Phys 152, 184102, 2020
673*2020
deMon2k
G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012
500*2012
Calculation of exchange-correlation potentials with auxiliary function densities
AM Köster, JU Reveles, JM del Campo
The Journal of chemical physics 121 (8), 3417-3424, 2004
2452004
Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties
JM del Campo, JL Gázquez, SB Trickey, A Vela
The Journal of chemical physics 136 (10), 2012
1232012
Experimental and Theoretical Study of the Structure and Reactivity of FemOn+ (m = 1, 2; n = 1−5) with CO
NM Reilly, JU Reveles, GE Johnson, JM del Campo, SN Khanna, ...
The Journal of Physical Chemistry C 111 (51), 19086-19097, 2007
952007
A MinMax self-consistent-field approach for auxiliary density functional theory
AM Köster, JM Del Campo, F Janetzko, B Zuniga-Gutierrez
The Journal of chemical physics 130 (11), 2009
722009
A hierarchical transition state search algorithm
JM Del Campo, AM Köster
The Journal of chemical physics 129 (2), 2008
672008
A new meta-GGA exchange functional based on an improved constraint-based GGA
JM del Campo, JL Gázquez, SB Trickey, A Vela
Chemical Physics Letters 543, 179-183, 2012
582012
The reduced density gradient in atoms
JM del Campo, JL Gázquez, RJ Alvarez‐Mendez, A Vela
International Journal of Quantum Chemistry 112 (22), 3594-3598, 2012
492012
Improved constraint satisfaction in a simple generalized gradient approximation exchange functional
A Vela, JC Pacheco-Kato, JL Gázquez, JM del Campo, SB Trickey
The Journal of Chemical Physics 136 (14), 2012
362012
Copper coordination features of human islet amyloid polypeptide: the type 2 diabetes peptide
C Sánchez-López, R Cortés-Mejía, MC Miotto, A Binolfi, CO Fernández, ...
Inorganic chemistry 55 (20), 10727-10740, 2016
352016
Synthesis of novel chiral (thio) ureas and their application as organocatalysts and ligands in asymmetric synthesis
M Hernandez-Rodriguez, CG Avila-Ortiz, JM del Campo, ...
Australian journal of chemistry 61 (5), 364-375, 2008
252008
A PW91-like exchange with a simple analytical form
JC Pacheco-Kato, JM del Campo, JL Gázquez, SB Trickey, A Vela
Chemical Physics Letters 651, 268-273, 2016
222016
Resolution of the identity approximation applied to PNOF correlation calculations
JFH Lew-Yee, M Piris, J M del Campo
The Journal of Chemical Physics 154 (6), 2021
192021
Electron correlation in the iron (II) porphyrin by natural orbital functional approximations
JFH Lew-Yee, JM Del Campo, M Piris
Journal of Chemical Theory and Computation 19 (1), 211-220, 2022
162022
Asmic: An exceptional building block for isocyanide alkylations
E Alwedi, JA Lujan-Montelongo, BR Pitta, A Chao, R Cortés-Mejía, ...
Organic letters 20 (18), 5910-5913, 2018
152018
Hybrid functionals with variationally fitted exact exchange
D Mejía-Rodríguez, X Huang, JM del Campo, AM Köster
Advances in quantum chemistry 71, 41-67, 2015
132015
Asmic Isocyanide‐Nitrile Isomerization‐Alkylations
E Alwedi, JA Lujan‐Montelongo, R Cortés‐Mejía, JM del Campo, ...
European Journal of Organic Chemistry 2019 (29), 4644-4648, 2019
122019
Analysis of the generalized gradient approximation for the exchange energy
JL Gázquez, J del Campo, S Trickey, RJ Alvarez-Mendez, A Vela
Concepts and methods in modern theoretical chemistry 1, 295-311, 2013
112013
Outstanding improvement in removing the delocalization error by global natural orbital functional
JF Huan Lew-Yee, M Piris, JM Del Campo
The Journal of Chemical Physics 158 (8), 2023
102023
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