Enrique R. Batista
Affiliations: | Theoretical Division | Los Alamos National Laboratory, Los Alamos, NM, United States |
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"Enrique Batista"Mean distance: 8.06 | S | N | B | C | P |
Parents
Sign in to add mentorRichard L. Martin | grad student | LANL | ||
Hannes Jónsson | grad student | 1999 | University of Washington | |
(Development of a New Water-Water Interaction Potential and Application to Molecular Processes in Ice) | ||||
Bruce J. Berne | post-doc | Columbia | ||
Richard A. Friesner | post-doc | Columbia | ||
P. Jeffrey Hay | post-doc | LANL |
Children
Sign in to add traineeAdam Jaroš | grad student | 2021-2022 | LANL |
Elena Jakubikova | post-doc | 2007-2010 | LANL |
Jason M. Keith | post-doc | 2010-2013 | LANL |
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Publications
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Kravchuk D, Augustine LJ, Rajapaksha H, et al. (2024) Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State. Chemistry (Weinheim An Der Bergstrasse, Germany). e202304049 |
Su J, Gong Y, Batista ER, et al. (2023) Unusual Actinyl Complexes with a Redox-Active N,S-Donor Ligand. Inorganic Chemistry |
Li B, Jones ZR, Eiroa-Lledo C, et al. (2023) Structure and Dynamics of NaCl/KCl/CaCl-EuCl ( = 2, 3) Molten Salts. Inorganic Chemistry |
Taylor MG, Burrill DJ, Janssen J, et al. (2023) Architector for high-throughput cross-periodic table 3D complex building. Nature Communications. 14: 2786 |
Hartline DR, Löffler ST, Fehn D, et al. (2023) Uranium-Mediated Peroxide Activation and a Precursor toward an Elusive Uranium -Dioxo Fleeting Intermediate. Journal of the American Chemical Society |
Augustine LJ, Kasper JM, Forbes TZ, et al. (2023) Influencing Bonding Interactions of the Neptunyl (V, VI) Cations with Electron-Donating and -Withdrawing Groups. Inorganic Chemistry |
Liao C, Kasper JM, Jenkins AJ, et al. (2023) State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives. Jacs Au. 3: 358-367 |
Zhang X, Adelman SL, Arko BT, et al. (2022) Advancing the Am Extractant Design through the Interplay among Planarity, Preorganization, and Substitution Effects. Inorganic Chemistry |
McNeece AJ, Jaroš A, Batista ER, et al. (2022) Hydrazine Energy Storage: Displacing N2H4 from the Metal Coordination Sphere. Chemsuschem |
Aldrich KE, Popov IA, Root HD, et al. (2022) Synthesis, solid-state, solution, and theoretical characterization of an "in-cage" scandium-NOTA complex. Dalton Transactions (Cambridge, England : 2003) |