Enrique R. Batista

Affiliations: 
Theoretical Division Los Alamos National Laboratory, Los Alamos, NM, United States 
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"Enrique Batista"
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SNBCP

Parents

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Richard 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

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Adam 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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Ehrman JN, Shumilov K, Jenkins AJ, et al. (2024) Unveiling Hidden Shake-Up Features in the Uranyl M-Edge Spectrum. Jacs Au. 4: 1134-1141
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
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