Batista ER - 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

Advancing the Am Extractant Design through the Interplay among Planarity, Preorganization, and Substitution Effects.

Zhang X, Adelman SL, Arko BT, De Silva CR, Su J, Kozimor SA, Mocko V, Shafer JC, Stein BW, Schreckenbach G, Batista ER, Yang P. Zhang X, et al. Among authors: batista er. Inorg Chem. 2022 Aug 1;61(30):11556-11570. doi: 10.1021/acs.inorgchem.2c00534. Epub 2022 Jul 22. Inorg Chem. 2022. PMID: 35866884

3

N₂-to-NH₃ conversion by excess electrons trapped in point vacancies on 5f-element dioxide surfaces.

Wang G, Batista ER, Yang P. Wang G, et al. Among authors: batista er. Front Chem. 2023 Jan 5;10:1051496. doi: 10.3389/fchem.2022.1051496. eCollection 2022. Front Chem. 2023. PMID: 36688046 Free PMC article.

4

Advancing Chelation Chemistry for Actinium and Other +3 f-Elements, Am, Cm, and La.

Stein BW, Morgenstern A, Batista ER, Birnbaum ER, Bone SE, Cary SK, Ferrier MG, John KD, Pacheco JL, Kozimor SA, Mocko V, Scott BL, Yang P. Stein BW, et al. Among authors: batista er. J Am Chem Soc. 2019 Dec 11;141(49):19404-19414. doi: 10.1021/jacs.9b10354. Epub 2019 Dec 3. J Am Chem Soc. 2019. PMID: 31794205

5

Computer-Assisted Design of Macrocyclic Chelators for Actinium-225 Radiotherapeutics.

Morgenstern A, Lilley LM, Stein BW, Kozimor SA, Batista ER, Yang P. Morgenstern A, et al. Among authors: batista er. Inorg Chem. 2021 Jan 18;60(2):623-632. doi: 10.1021/acs.inorgchem.0c02432. Epub 2020 Nov 19. Inorg Chem. 2021. PMID: 33213142

6

Pairwise Difference Regression: A Machine Learning Meta-algorithm for Improved Prediction and Uncertainty Quantification in Chemical Search.

Tynes M, Gao W, Burrill DJ, Batista ER, Perez D, Yang P, Lubbers N. Tynes M, et al. Among authors: batista er. J Chem Inf Model. 2021 Aug 23;61(8):3846-3857. doi: 10.1021/acs.jcim.1c00670. Epub 2021 Aug 4. J Chem Inf Model. 2021. PMID: 34347460 Free article.

7

Relativistic Effects in Modeling the Ligand K-Edge X-ray Absorption Near-Edge Structure of Uranium Complexes.

Kasper JM, Li X, Kozimor SA, Batista ER, Yang P. Kasper JM, et al. Among authors: batista er. J Chem Theory Comput. 2022 Apr 12;18(4):2171-2179. doi: 10.1021/acs.jctc.1c00851. Epub 2022 Mar 11. J Chem Theory Comput. 2022. PMID: 35274960 Free article.

8

Influencing Bonding Interactions of the Neptunyl (V, VI) Cations with Electron-Donating and -Withdrawing Groups.

Augustine LJ, Kasper JM, Forbes TZ, Mason SE, Batista ER, Yang P. Augustine LJ, et al. Among authors: batista er. Inorg Chem. 2023 Apr 17;62(15):6055-6064. doi: 10.1021/acs.inorgchem.2c04538. Epub 2023 Mar 31. Inorg Chem. 2023. PMID: 37000037

9

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 May 15;14(1):2786. doi: 10.1038/s41467-023-38169-2. Nat Commun. 2023. PMID: 37188661 Free PMC article.

10

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

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