Articoli con mandati relativi all'accesso pubblico - Alejandro J. GarzaUlteriori informazioni
Non disponibile pubblicamente: 1
Assessing combinations of singlet-paired coupled cluster and density functional theory for treating electron correlation in closed and open shells
JA Gomez, M Molla, AJ Garza, TM Henderson, GE Scuseria
Molecular Physics 118 (4), 1615144, 2020
Mandati: US National Science Foundation, US Department of Energy
Disponibili pubblicamente: 17
Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products
AJ Garza, AT Bell, M Head-Gordon
Acs Catalysis 8 (2), 1490-1499, 2018
Mandati: US Department of Energy
Predicting band gaps with hybrid density functionals
AJ Garza, GE Scuseria
The journal of physical chemistry letters 7 (20), 4165-4170, 2016
Mandati: US Department of Energy
Challenges in modeling electrochemical reaction energetics with polarizable continuum models
JA Gauthier, S Ringe, CF Dickens, AJ Garza, AT Bell, M Head-Gordon, ...
Acs Catalysis 9 (2), 920-931, 2018
Mandati: US National Science Foundation, US Department of Energy
Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO2 on Copper?
AJ Garza, AT Bell, M Head-Gordon
The journal of physical chemistry letters 9 (3), 601-606, 2018
Mandati: US Department of Energy
Range separated hybrids of pair coupled cluster doubles and density functionals
AJ Garza, IW Bulik, TM Henderson, GE Scuseria
Physical Chemistry Chemical Physics 17 (34), 22412-22422, 2015
Mandati: US Department of Energy
Heterogenized Pyridine-Substituted Cobalt(II) Phthalocyanine Yields Reduction of CO2 by Tuning the Electron Affinity of the Co Center
A De Riccardis, M Lee, RV Kazantsev, AJ Garza, G Zeng, DM Larson, ...
ACS applied materials & interfaces 12 (5), 5251-5258, 2020
Mandati: US Department of Energy
Electronic structure and properties of berkelium iodates
MA Silver, SK Cary, AJ Garza, RE Baumbach, AA Arico, GA Galmin, ...
Journal of the American Chemical Society 139 (38), 13361-13375, 2017
Mandati: US National Science Foundation, US Department of Energy
Synergy between pair coupled cluster doubles and pair density functional theory
AJ Garza, IW Bulik, TM Henderson, GE Scuseria
The Journal of Chemical Physics 142 (4), 2015
Mandati: US Department of Energy
Explaining the incorporation of oxygen derived from solvent water into the oxygenated products of CO reduction over Cu
EL Clark, J Wong, AJ Garza, Z Lin, M Head-Gordon, AT Bell
Journal of the American Chemical Society 141 (10), 4191-4193, 2019
Mandati: US National Science Foundation, US Department of Energy, US National …
Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals
AJ Garza, AG Sousa Alencar, GE Scuseria
The Journal of Chemical Physics 143 (24), 2015
Mandati: US Department of Energy
Nonempirical meta-generalized gradient approximations for modeling chemisorption at metal surfaces
AJ Garza, AT Bell, M Head-Gordon
Journal of chemical theory and computation 14 (6), 3083-3090, 2018
Mandati: US Department of Energy
Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions
AJ Garza, IW Bulik, AGS Alencar, J Sun, JP Perdew, GE Scuseria
Molecular Physics 114 (7-8), 997-1018, 2016
Mandati: US Department of Energy
Reaction mechanism of the selective reduction of CO 2 to CO by a tetraaza [Co II N 4 H] 2+ complex in the presence of protons
AJ Garza, S Pakhira, AT Bell, JL Mendoza-Cortes, M Head-Gordon
Physical Chemistry Chemical Physics 20 (37), 24058-24064, 2018
Mandati: US Department of Energy
Conformational Preferences of trans-1,2- and cis-1,3-Cyclohexanedicarboxylic Acids in Water and Dimethyl Sulfoxide as a Function of the Ionization State As …
AJ Garza, M Nag, WR Carroll, WA Goddard III, JD Roberts
Journal of the American Chemical Society 134 (36), 14772-14780, 2012
Mandati: US National Institutes of Health
Intensive atomization energy: re-thinking a metric for electronic structure theory methods
JP Perdew, J Sun, AJ Garza, GE Scuseria
Zeitschrift für Physikalische Chemie 230 (5-7), 737-742, 2016
Mandati: US National Science Foundation, US Department of Energy
On the equivalence of LIST and DIIS methods for convergence acceleration
AJ Garza, GE Scuseria
The Journal of chemical physics 142 (16), 2015
Mandati: US Department of Energy
The two pillars: density and spin-density functional theories
AJ Garza, GE Scuseria, A Ruzsinszky, J Sun, JP Perdew
Molecular Physics 114 (7-8), 928-931, 2016
Mandati: US National Science Foundation, US Department of Energy
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