Batista ÉR - Search Results

1

Advancing Rare-Earth (4f) and Actinide (5f) Separation through Machine Learning and Automated High-Throughput Experiments.

Augustine LJ, Wang Y, Adelman SL, Batista ER, Kozimor SA, Perez D, Schrier J, Yang P. Augustine LJ, et al. Among authors: batista er. ACS Sustain Chem Eng. 2024 Oct 29;12(45):16692-16699. doi: 10.1021/acssuschemeng.4c06166. eCollection 2024 Nov 11. ACS Sustain Chem Eng. 2024. PMID: 39545104 Free PMC article.

2

Photoinduced Isomerization of [N₂]^2- in a Bimetallic Lutetium Complex.

Yuan M, McNeece AJ, Dolgopolova EA, Wolfsberg L, Bowes EG, Batista ER, Yang P, Filatov A, Davis BL. Yuan M, et al. Among authors: batista er. J Am Chem Soc. 2024 Nov 13;146(45):31074-31084. doi: 10.1021/jacs.4c10950. Epub 2024 Oct 31. J Am Chem Soc. 2024. PMID: 39482864

3

Efficient Parameterization of Density Functional Tight-Binding for 5f-Elements: A Th-O Case Study.

Liu C, Aguirre NF, Cawkwell MJ, Batista ER, Yang P. Liu C, et al. Among authors: batista er. J Chem Theory Comput. 2024 Jul 23;20(14):5923-5936. doi: 10.1021/acs.jctc.4c00145. Epub 2024 Jul 11. J Chem Theory Comput. 2024. PMID: 38990696 Free PMC article.

4

Unveiling Hidden Shake-Up Features in the Uranyl M₄-Edge Spectrum.

Ehrman JN, Shumilov K, Jenkins AJ, Kasper JM, Vitova T, Batista ER, Yang P, Li X. Ehrman JN, et al. Among authors: batista er. JACS Au. 2024 Mar 6;4(3):1134-1141. doi: 10.1021/jacsau.3c00838. eCollection 2024 Mar 25. JACS Au. 2024. PMID: 38559711 Free PMC article.

5

Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics.

Yu Z, Batista ER, Yang P, Perez D. Yu Z, et al. Among authors: batista er. J Chem Theory Comput. 2024 Mar 26;20(6):2570-2581. doi: 10.1021/acs.jctc.3c01381. Epub 2024 Mar 12. J Chem Theory Comput. 2024. PMID: 38470415

6

Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State.

Kravchuk DV, Augustine LJ, Rajapaksha H, Benthin GC, Batista ER, Yang P, Forbes TZ. Kravchuk DV, et al. Among authors: batista er. Chemistry. 2024 Apr 22;30(23):e202304049. doi: 10.1002/chem.202304049. Epub 2024 Mar 12. Chemistry. 2024. PMID: 38183632

7

Advances in heavy alkaline earth chemistry provide insight into complexation of weakly polarizing Ra²⁺, Ba²⁺, and Sr²⁺ cations.

Gilhula JC, Xu L, White FD, Adelman SL, Aldrich KE, Batista ER, Dan D, Jones ZR, Kozimor SA, Mason HE, Meyer RL, Thiele NA, Yang P, Yuan M. Gilhula JC, et al. Among authors: batista er. Sci Adv. 2024 Jan 5;10(1):eadj8765. doi: 10.1126/sciadv.adj8765. Epub 2024 Jan 5. Sci Adv. 2024. PMID: 38181087 Free PMC article.

8

Author Correction: Architector for high-throughput cross-periodic table 3D complex building.

Taylor MG, Burrill DJ, Janssen J, Batista ER, Perez D, Yang P. Taylor MG, et al. Among authors: batista er. Nat Commun. 2023 Oct 4;14(1):6176. doi: 10.1038/s41467-023-42034-7. Nat Commun. 2023. PMID: 37794005 Free PMC article. No abstract available.

9

Impact of Surface Oxidation on the Morphology of Uranium Dioxide Nanoparticles.

Gonzalez DG, Wang G, Batista ER, Yang P. Gonzalez DG, et al. Among authors: batista er. Inorg Chem. 2023 Sep 18;62(37):14852-14862. doi: 10.1021/acs.inorgchem.3c00520. Epub 2023 Sep 6. Inorg Chem. 2023. PMID: 37671840

10

Unusual Actinyl Complexes with a Redox-Active N,S-Donor Ligand.

Su J, Gong Y, Batista ER, Lucena AF, Maria L, Marçalo J, Van Stipdonk MJ, Berden G, Martens J, Oomens J, Gibson JK, Yang P. Su J, et al. Among authors: batista er. Inorg Chem. 2023 Jul 17;62(28):11016-11027. doi: 10.1021/acs.inorgchem.3c00990. Epub 2023 Jun 30. Inorg Chem. 2023. PMID: 37390399

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