Juan A. Santana
TitleCited byYear
Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo
JA Santana, JT Krogel, J Kim, PRC Kent,, FA Reboredo
The Journal of chemical physics 142 (16), 164705, 2015
Electrochemical hydrogen oxidation on Pt (110): a combined direct molecular dynamics/density functional theory study
JA Santana, JJ Mateo, Y Ishikawa
The Journal of Physical Chemistry C 114 (11), 4995-5002, 2010
Pseudopotentials for quantum Monte Carlo studies of transition metal oxides
JT Krogel, JA Santana, FA Reboredo
Physical Review B 93 (7), 075143, 2016
A density-functional theory study of electrochemical adsorption of sulfuric acid anions on Pt (111)
JA Santana, CR Cabrera, Y Ishikawa
Physical Chemistry Chemical Physics 12 (32), 9526-9534, 2010
Separation of CO2 from light gas mixtures using nanoporous silicoaluminophosphate sorbents: Effect of multiple-step ion exchange and adsorption mechanism via computational studies
AG Arévalo-Hidalgo, JA Santana, R Fu, Y Ishikawa, ...
Microporous and Mesoporous Materials 130 (1-3), 142-153, 2010
Atomic lifetime measurements on forbidden transitions of Al-, Si-, P-and S-like ions at a heavy-ion storage ring
E Träbert, J Hoffmann, C Krantz, A Wolf, Y Ishikawa, JA Santana
Journal of Physics B: Atomic, Molecular and Optical Physics 42 (2), 025002, 2008
Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo
JA Santana, JT Krogel, PRC Kent, FA Reboredo
The Journal of chemical physics 144 (17), 174707, 2016
Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO
C Mitra, JT Krogel, JA Santana, FA Reboredo
The Journal of chemical physics 143 (16), 164710, 2015
Multireference Møller–Plesset perturbation theory results on levels and transition rates in Al-like ions of iron group elements
JA Santana, Y Ishikawa, E Träbert
Physica Scripta 79 (6), 065301, 2009
Hydrogen adsorption on and spillover from Au-and Cu-supported Pt 3 and Pd 3 clusters: a density functional study
JA Santana, N Rösch
Physical Chemistry Chemical Physics 14 (46), 16062-16069, 2012
Selective CO2 Adsorption on Metal-Organic Frameworks Based on Trinuclear Cu3-Pyrazolato Complexes: An Experimental and Computational Study
L Mathivathanan, J Torres-King, JN Primera-Pedrozo, OJ García-Ricard, ...
Crystal Growth & Design 13 (6), 2628-2635, 2013
Relativistic multireference many-body perturbation theory for open-shell ions with multiple valence shell electrons: the transition rates and lifetimes of the excited levels in …
Y Ishikawa, JA Santana, E Träbert
Journal of Physics B: Atomic, Molecular and Optical Physics 43 (7), 074022, 2010
Successes and failures of Hubbard-corrected density functional theory: The case of Mg doped LiCoO2
JA Santana, J Kim, PRC Kent, FA Reboredo
The Journal of chemical physics 141 (16), 164706, 2014
Density-functional theory study of interactions between water and carbon monoxide adsorbed on platinum under electrochemical conditions
JA Santana, Y Ishikawa
Chemical Physics Letters 478 (4-6), 110-114, 2009
Electron-correlation effects on the 3 C to 3 D line-intensity ratio in the Ne-like ions Ar 8+ to Kr 26+
JA Santana, JK Lepson, E Träbert, P Beiersdorfer
Physical Review A 91 (1), 012502, 2015
Isoelectronic trends of the E1-forbidden decay rates of Al-, Si-, P-, and S-like ions of Cl, Ti, Mn, Cu, and Ge
E Träbert, M Grieser, C Krantz, R Repnow, A Wolf, FJ Diaz, Y Ishikawa, ...
Journal of Physics B: Atomic, Molecular and Optical Physics 45 (21), 215003, 2012
Extreme-ultraviolet spectra of highly charged Pt ions with several valence-shell electrons: Observation and accurate calculations
E Träbert, J Clementson, P Beiersdorfer, JA Santana, Y Ishikawa
Physical Review A 82 (6), 062519, 2010
Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3
JA Santana, JT Krogel, PRC Kent, FA Reboredo
The Journal of Chemical Physics 147, 034701, 2017
Stabilizing polysulfide-shuttle in a Li–S battery using transition metal carbide nanostructures
H Al Salem, VR Chitturi, G Babu, JA Santana, D Gopalakrishnan, ...
RSC Advances 6 (111), 110301-110306, 2016
A combined experimental and theoretical study of gas sorption on nanoporous silver triazolato metal–organic frameworks
G Yang, JA Santana, ME Rivera-Ramos, O García-Ricard, ...
Microporous and Mesoporous Materials 183, 62-68, 2014
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Articles 1–20