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Jorge A. Vargas
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Alloying–Realloying Enabled High Durability for Pt–Pd–3d-Transition Metal Nanoparticle Fuel Cell Catalysts
Z Wu, Y Maswadeh, J Wen, Z Kong, S Shan, J Vargas, S Yan, E Hopkins, ...
Nature Communications, 2020
802020
Origin of high activity and durability of twisty nanowire alloy catalysts under oxygen reduction and fuel cell operating conditions
Z Kong, Y Maswadeh, JA Vargas, S Shan, ZP Wu, H Kareem, AC Leff, ...
Journal of the American Chemical Society 142 (3), 1287-1299, 2019
772019
New AuN (N = 27–30) Lowest Energy Clusters Obtained by Means of an Improved DFT–Genetic Algorithm Methodology
JA Vargas, F Buendía, MR Beltrán
The Journal of Physical Chemistry C 121 (20), 10982-10991, 2017
432017
Importance of self-interaction-error removal in density functional calculations on water cluster anions
J Vargas, P Ufondu, T Baruah, Y Yamamoto, KA Jackson, RR Zope
Physical Chemistry Chemical Physics 22 (7), 3789-3799, 2020
312020
Deviations from Vegard's law and evolution of the electrocatalytic activity and stability of Pt-based nanoalloys inside fuel cells by in operando X-ray spectroscopy and total …
V Petkov, Y Maswadeh, JA Vargas, S Shan, H Kareem, ZP Wu, J Luo, ...
Nanoscale 11 (12), 5512-5525, 2019
212019
Adsorption of melphalan anticancer drug on C24, B12N12, B12C6N6, B6C12N12 and B6C6N12 nanocages: a comparative DFT study
CA Celaya, LF Hernández-Ayala, FB Zamudio, JA Vargas, M Reina
Journal of Molecular Liquids 329, 115528, 2021
202021
The role of pre-nucleation clusters in the crystallization of gold nanoparticles
RK Ramamoorthy, E Yildirim, E Barba, P Roblin, JA Vargas, LM Lacroix, ...
Nanoscale 12 (30), 16173-16188, 2020
162020
Study of the stability of small AuRh clusters found by a Genetic Algorithm methodology
F Buendía, JA Vargas, RL Johnston, MR Beltrán
Computational and Theoretical Chemistry 1119, 51-58, 2017
162017
Ultrathin gold nanowires with the polytetrahedral structure of bulk manganese
JA Vargas, V Petkov, ESA Nouh, RK Ramamoorthy, LM Lacroix, R Poteau, ...
ACS nano 12 (9), 9521-9531, 2018
152018
4, 4′-methylene diphenyl diisocyanate–Conformational space, normal vibrations and infrared spectra
F Fug, K Rohe, J Vargas, C Nies, M Springborg, W Possart
Polymer 99, 671-683, 2016
142016
A comparative study of Au m Rh n (4≤ m+ n≤ 6) clusters in the gas phase versus those deposited on (100) MgO
F Buendía, JA Vargas, MR Beltrán, JBA Davis, RL Johnston
Physical Chemistry Chemical Physics 18 (32), 22122-22128, 2016
112016
Electronic responses of long chains to electrostatic fields: Hartree-Fock vs. density-functional theory: A model study
J Vargas, M Springborg, B Kirtman
The Journal of Chemical Physics 140 (5), 054117, 2014
92014
High pressure nitrogen-infused ultrastable fuel cell catalyst for oxygen reduction reaction
E Lee, KA Kuttiyiel, KH Kim, J Jang, HJ Lee, JM Lee, MH Seo, TH Yang, ...
ACS Catalysis 11 (9), 5525-5531, 2021
82021
How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations?
S Akter, JA Vargas, K Sharkas, JE Peralta, KA Jackson, T Baruah, ...
Physical Chemistry Chemical Physics 23 (34), 18678-18685, 2021
62021
Energetic, structural, and vibrational properties of 4, 4′-methylenediphenyl diisocyanate with relevance for adhesion
M Ramírez, J Vargas, M Springborg
The Journal of Physical Chemistry A 120 (24), 4256-4266, 2016
52016
Stability of Au m Ag n (m+ n= 1–6) clusters supported on a F-center MgO (100) surface
F Buendía, JA Vargas, MR Beltrán
Physical Chemistry Chemical Physics 20 (48), 30466-30474, 2018
42018
Building band structures for long finite chains in presence of an electric field
J Vargas, M Springborg
The Journal of Chemical Physics 137 (14), 144108, 2012
32012
Improving density functional calculations of molecular polarizabilities using locally scaled self-interaction corrections.
K Sharkas, S Akter, J Vargas, J Peralta, K Jackson, T Baruah, R Zope
APS March Meeting Abstracts 2021, X21. 009, 2021
2021
Study of weakly bound cluster anions using locally scaled and Perdew-Zunger self-interaction-correction methods.
P Ufondu, J Vargas, Y Yamamoto, T Baruah, R Zope
APS March Meeting Abstracts 2021, Y21. 004, 2021
2021
Study of water cluster anions using the self-interaction corrected density functional approximations
J Vargas, P Ufondu, T Baruah, K Jackson, R Zope
Bulletin of the American Physical Society 65, 2020
2020
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