NWChem: Past, present, and future M Valiev, HJJ van Dam, Y Alexeev, J Anchell, V Anisimov, FW Aquino, ... J. Chem. Phys 152, 184102, 2020 | 789* | 2020 |
deMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012 | 489* | 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 | 246 | 2004 |
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 | 110 | 2012 |
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 | 94 | 2007 |
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 | 79 | 2009 |
A hierarchical transition state search algorithm JM Del Campo, AM Köster The Journal of chemical physics 129 (2), 2008 | 69 | 2008 |
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 | 58 | 2012 |
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 | 44 | 2012 |
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 | 37 | 2012 |
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 | 34 | 2016 |
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 | 26 | 2008 |
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 | 22 | 2016 |
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 | 15 | 2018 |
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 | 14 | 2015 |
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 | 13 | 2021 |
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 | 12 | 2022 |
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 | 12 | 2013 |
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 | 11 | 2019 |
Asymmetric density fitting with modified Cholesky decomposition applied to second order electron propagator JFH Lew-Yee, R Flores-Moreno, JL Morales, J M. del Campo Journal of Chemical Theory and Computation 16 (3), 1597-1605, 2020 | 9 | 2020 |