Articoli con mandati relativi all'accesso pubblico - Enrique R BatistaUlteriori informazioni
Non disponibili pubblicamente: 17
Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6x– (x = 3, 2)
MW Löble, JM Keith, AB Altman, SCE Stieber, ER Batista, KS Boland, ...
Journal of the American Chemical Society 137 (7), 2506-2523, 2015
Mandati: US Department of Energy
On the origin of covalent bonding in heavy actinides
MP Kelley, J Su, M Urban, M Luckey, ER Batista, P Yang, JC Shafer
Journal of the American Chemical Society 139 (29), 9901-9908, 2017
Mandati: US Department of Energy
Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy
LP Spencer, P Yang, SG Minasian, RE Jilek, ER Batista, KS Boland, ...
Journal of the American Chemical Society 135 (6), 2279-2290, 2013
Mandati: US National Institutes of Health
Understanding ketone hydrodeoxygenation for the production of fuels and feedstocks from biomass
AE King, TJ Brooks, YH Tian, ER Batista, AD Sutton
ACS catalysis 5 (2), 1223-1226, 2015
Mandati: US Department of Energy
Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium–Tin Bond
MS Winston, ER Batista, P Yang, AM Tondreau, JM Boncella
Inorganic chemistry 55 (11), 5534-5539, 2016
Mandati: US Department of Energy
Excess Electrons on Reduced AnO2 (111) Surfaces (An = Th, U, Pu) and Their Impacts on Catalytic Water Splitting
G Wang, ER Batista, P Yang
The Journal of Physical Chemistry C 123 (50), 30245-30251, 2019
Mandati: US Department of Energy
Assessment of tuned range separated exchange functionals for spectroscopies and properties of uranium complexes
TJ Duignan, J Autschbach, E Batista, P Yang
Journal of chemical theory and computation 13 (8), 3614-3625, 2017
Mandati: US Department of Energy
Nature of Bonding in Complexes Containing “Supershort” Metal− Metal Bonds. Raman and Theoretical Study of M2 (dmp) 4 [M= Cr (Natural Abundance Cr, 50Cr, and 54Cr) and Mo; dmp …
RE Da Re, JL Eglin, CN Carlson, KD John, DE Morris, WH Woodruff, ...
Journal of the American Chemical Society 132 (6), 1839-1847, 2010
Mandati: US National Institutes of Health
Computer-Assisted Design of Macrocyclic Chelators for Actinium-225 Radiotherapeutics
A Morgenster, LM Lilley, BW Stein, SA Kozimor, ER Batista, P Yang
Inorganic Chemistry 60 (2), 624-633, 2021
Mandati: US Department of Energy
SCC-DFTB Parameters for Fe-C Interactions
C Liu, ER Batista, NF Aguirre, P Yang, MJ Cawkwell, E Jakubikova
Journal of Physical Chemistry A 124 (46), 9674-9682, 2020
Mandati: US Department of Energy, US Department of Defense
Two-Dimensional Nanomaterials as Anticorrosion Surface Coatings for Uranium Metal: Physical Insights from First-Principles Theory
Q Guo, G Wang, ER Batista, KC Lau, P Yang
ACS Applied Nano Materials 4 (5), 5038-5046, 2021
Mandati: US Department of Energy
Tight-binding modeling of uranium in an aqueous environment
RK Carlson, MJ Cawkwell, ER Batista, P Yang
Journal of chemical theory and computation 16 (5), 3073-3083, 2020
Mandati: US Department of Energy
Structure and Dynamics of NaCl/KCl/CaCl2–EuCln (n = 2, 3) Molten Salts
B Li, ZR Jones, C Eiroa-Lledo, KE Knope, V Mocko, BW Stein, JN Wacker, ...
Inorganic chemistry 62 (27), 10528-10538, 2023
Mandati: US Department of Energy
Computational Studies of Bonding and Reactivity in Actinide Molecular Complexes
ER Batista, RL Martin, P Yang
Computational Methods in Lanthanide and Actinide Chemistry, 375-400, 2015
Mandati: US Department of Energy
Electronic Structure and Spectroscopy of f-Element Tris (cyclopentadienyl) Complexes
J Su, ER Batista, P Yang
Rare Earth Elements and Actinides: Progress in Computational Science …, 2021
Mandati: US Department of Energy
Mechanistic Study of the Production of NOx Gases from the Reaction of Copper with Nitric Acid
RK Carlson, P Yang, SM Clegg, ER Batista
Inorganic Chemistry 59 (23), 16833-16842, 2020
Mandati: US Department of Energy
Impact of Surface Oxidation on the Morphology of Uranium Dioxide Nanoparticles
DG Gonzalez, G Wang, ER Batista, P Yang
Inorganic chemistry 62 (37), 14852-14862, 2023
Mandati: US Department of Energy
Disponibili pubblicamente: 95
Energy-degeneracy-driven covalency in actinide bonding
J Su, ER Batista, KS Boland, SE Bone, JA Bradley, SK Cary, DL Clark, ...
Journal of the American Chemical Society 140 (51), 17977-17984, 2018
Mandati: US Department of Energy
Design, isolation, and spectroscopic analysis of a tetravalent terbium complex
NT Rice, IA Popov, DR Russo, J Bacsa, ER Batista, P Yang, J Telser, ...
Journal of the American Chemical Society 141 (33), 13222-13233, 2019
Mandati: US National Science Foundation, US Department of Energy, US National …
Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2
SG Minasian, ER Batista, CH Booth, DL Clark, JM Keith, SA Kozimor, ...
Journal of the American Chemical Society 139 (49), 18052-18064, 2017
Mandati: US National Science Foundation, US Department of Energy
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