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E

Enrique R. Batista

los alamos national laboratory

55H-index
474Paper Count
8.5KCitation Count
Published Papers 75
Publication Date
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Isolation of an Americium Complex Containing a Radical Ligand
errJournal of the American Chemical Society
IF15.6
err2026-03-12
err0
PREAI
errDaniel J. Lussier; Maria J. Beltrán-Leiva; Josef Tomeček; Enrique R. Batista; Andrew J. Gaunt; Susan K. Hanson; Harris E. Mason; Jeffrey L. Miller; Jesse Murillo; Amanda A. Salazar; Jared T. Stritzinger; Ping Yang
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Probing f-Block Covalency at the Limits of Hard-Metal/Soft-Ligand Interactions through Chalcogenoether Complexes
errJournal of the American Chemical Society
IF15.6
err2025-10-31
err0
PREAI
errJesse Murillo; Maria J. Beltrán-Leiva; Novan A. G. Gray; Daniel J. Lussier; Enrique R. Batista; David J. H. Emslie; Melissa Fairley; Andrew J. Gaunt; J. Connor Gilhula; Susan K. Hanson; Stosh A. Kozimor; Brian N. Long; Iain May; Jeffrey L. Miller; Brian L. Scott; Jared T. Stritzinger; Ping Yang
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Insights into Na2O Photocathodes: First-Principles Investigation of Electronic, Vibrational, Optical, Transport, and Surface Properties
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
PREAI
errAryal, Sandip; Batista, Enrique R.; Yamaguchi, Hisato; Wang, Gaoxue
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Defect-Promoted Catalytic Conversion of Carbon Monoxide to Methanol on ThO2 Surfaces
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2025-05-01
err0
PREAI
errYao, SK; Wang, GX; Batista, ER; Yang, P
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Unlocking Novel δ and φ Bonding Modes in Actinides via Oxidation State Control
errJACS AU
IF8.7
err2025-04-14
err0
errOAAI
errBeltran-Leiva, Maria J.; Batista, Enrique R.
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Structural and Electronic Properties of Anionic (ThO2)n - (n=2-4) Clusters
errINORGANIC CHEMISTRY
IF4.7
err2025-03-01
err0
PREAI
errYuan, Mingbin; Tufekci, Burak A.; Xu, Jinheng; Foreman, Kathryn; Heaven, Michael C.; Batista, Enrique R.; Bowen, Kit H.; Yang, Ping
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MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-29
err0
errOAAI
errBurrill, Daniel J.; Liu, Chang; Taylor, Michael G.; Cawkwell, Marc J.; Perez, Danny; Batista, Enrique R.; Lubbers, Nicholas; Yang, Ping
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errSave
On the Importance of Configuration Search to the Predictivity of Lanthanide Selectivity
errJACS AU
IF8.7
err2024-11-18
err1
errOAAI
errSummers, Thomas J.; Taylor, Michael G.; Augustine, Logan J.; Janssen, Jan; Perez, Danny; Batista, Enrique R.; Yang, Ping
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Photoinduced Isomerization of [N2]2- in a Bimetallic Lutetium Complex
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-11-01
err0
PREAI
errYuan, Mingbin; McNeece, Andrew J.; Dolgopolova, Ekaterina A.; Wolfsberg, Laura; Bowes, Eric G.; Batista, Enrique R.; Yang, Ping; Filatov, Alexander; Davis, Benjamin L.
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Advancing Rare-Earth (4f) and Actinide (5f) Separation through Machine Learning and Automated High-Throughput Experiments
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2024-10-29
err0
errOAAI
errAugustine, Logan J.; Wang, Yufei; Adelman, Sara L.; Batista, Enrique R.; Kozimor, Stosh A.; Perez, Danny; Schrier, Joshua; Yang, Ping
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errSave
Efficient Parameterization of Density Functional Tight-Binding for 5f-Elements: A Th-O Case Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-11
err3
errOAAI
errLiu, Chang; Aguirre, Nestor F.; Cawkwell, Marc J.; Batista, Enrique R.; Yang, Ping
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errSave
Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-03-12
err1
errOAAI
errKravchuk, Dmytro V.; Augustine, Logan J.; Rajapaksha, Harindu; Benthin, Grant C.; Batista, Enrique R.; Yang, Ping; Forbes, Tori Z.
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errSave
Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-12
err2
errOAAI
errYu, Zhou; Batista, Enrique R.; Yang, Ping; Perez, Danny
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errSave
Unveiling Hidden Shake-Up Features in the Uranyl M4-Edge Spectrum
errJACS AU
IF8.7
err2024-03-06
err6
errOAAI
errEhrman, Jordan N.; Shumilov, Kirill; Jenkins, Andrew J.; Kasper, Joseph M.; Vitova, Tonya; Batista, Enrique R.; Yang, Ping; Li, Xiaosong
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errSave
Advances in heavy alkaline earth chemistry provide insight into complexation of weakly polarizing Ra2+, Ba2+, and Sr2+ cations
errSCIENCE ADVANCES
IF12.5
err2024-01-05
err2
errOAAI
errGilhula, J. Connor; Xu, Lei; White, Frankie D.; Adelman, Sara L.; Aldrich, Kelly E.; Batista, Enrique R.; Dan, David; Jones, Zachary R.; Kozimor, Stosh A.; Mason, Harris E.; Meyer, Rachel L.; Thiele, Nikki A.; Yang, Ping; Yuan, Mingbin
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Employing a template synthesis to access diastereopure Np(iv) and U(iv) complexes and analysis of their 5f orbitals in bonding
errINORGANIC CHEMISTRY FRONTIERS
IF6.4
err2024-01-01
err1
errOAAI
errCarpenter, Stephanie H.; Beltran-Leiva, Maria J.; Sharma, Shikha; Tarlton, Michael L.; Moore, James T.; Gaunt, Andrew J.; Batista, Enrique R.; Tondreau, Aaron M.; Yang, Ping
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Architector for high-throughput cross-periodic table 3D complex building (vol 14, 2786, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2023-10-04
err2
errOAAI
errTaylor, Michael G.; Burrill, Daniel J.; Janssen, Jan; Batista, Enrique R.; Perez, Danny; Yang, Ping
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errSave
Impact of Surface Oxidation on the Morphology of Uranium Dioxide Nanoparticles
errINORGANIC CHEMISTRY
IF4.7
err2023-09-06
err2
PREAI
errGonzalez, David G.; Wang, Gaoxue; Batista, Enrique R.; Yang, Ping
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Unusual Actinyl Complexes with a Redox-Active N,S-Donor Ligand
errINORGANIC CHEMISTRY
IF4.7
err2023-06-30
err4
PREAI
errSu, Jing; Gong, Yu; Batista, Enrique R.; Lucena, Ana F.; Maria, Leonor; Marcalo, Joaquim; Van Stipdonk, Michael J.; Berden, Giel; Martens, Jonathan; Oomens, Jos; Gibson, John K.; Yang, Ping
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Structure and Dynamics of NaCl/KCl/CaCl2-EuCl n (n=2, 3) Molten Salts
errINORGANIC CHEMISTRY
IF4.7
err2023-06-28
err6
PREAI
errLi, Bo; Jones, Zachary R.; Eiroa-Lledo, Cecilia; Knope, Karah E.; Mocko, Veronika; Stein, Benjamin W.; Wacker, Jennifer N.; Kozimor, Stosh A.; Batista, Enrique R.; Yang, Ping
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Research Directions

No research directions
Co-authors
Cooperation Journals
F
F. Albert Cotton
H-index: 104 · Papers: 3.0K
M
Michael J. Frisch
H-index: 98 · Papers: 354
W
William J. Evans
H-index: 95 · Papers: 1.1K
J
Jochen Autschbach
H-index: 84 · Papers: 868
Q
Q. X. Jia
H-index: 82 · Papers: 722
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