Román-Leshkov Y - Search Results

1

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes.

Kevlishvili I, St Michel RG, Garrison AG, Toney JW, Adamji H, Jia H, Román-Leshkov Y, Kulik HJ. Kevlishvili I, et al. Among authors: roman leshkov y. Faraday Discuss. 2025 Jan 14;256(0):275-303. doi: 10.1039/d4fd00087k. Faraday Discuss. 2025. PMID: 39301698

2

Retraction of "Hydrogenolysis of Polyethylene and Polypropylene into Propane over Cobalt-Based Catalysts".

Zichittella G, Ebrahim AM, Zhu J, Brenner AE, Drake G, Beckham GT, Bare SR, Rorrer JE, Román-Leshkov Y. Zichittella G, et al. JACS Au. 2024 Feb 7;4(2):865. doi: 10.1021/jacsau.4c00090. eCollection 2024 Feb 26. JACS Au. 2024. PMID: 38425905 Free PMC article.

3

Machine Learning Models Predict Calculation Outcomes with the Transferability Necessary for Computational Catalysis.

Duan C, Nandy A, Adamji H, Roman-Leshkov Y, Kulik HJ. Duan C, et al. J Chem Theory Comput. 2022 Jul 12;18(7):4282-4292. doi: 10.1021/acs.jctc.2c00331. Epub 2022 Jun 23. J Chem Theory Comput. 2022. PMID: 35737587

4

Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis.

Adamji H, Nandy A, Kevlishvili I, Román-Leshkov Y, Kulik HJ. Adamji H, et al. J Am Chem Soc. 2023 Jul 5;145(26):14365-14378. doi: 10.1021/jacs.3c03351. Epub 2023 Jun 20. J Am Chem Soc. 2023. PMID: 37339429

5

Computational Screening of Putative Catalyst Transition Metal Complexes as Guests in a Ga₄L₆^12- Nanocage.

Reinhardt CR, Manetsch MT, Li WL, Román-Leshkov Y, Head-Gordon T, Kulik HJ. Reinhardt CR, et al. Among authors: roman leshkov y. Inorg Chem. 2024 Aug 5;63(31):14609-14622. doi: 10.1021/acs.inorgchem.4c02113. Epub 2024 Jul 24. Inorg Chem. 2024. PMID: 39049593

6

ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-Learning Rationalization of Hydrothermal Parameters.

Pan E, Kwon S, Jensen Z, Xie M, Gómez-Bombarelli R, Moliner M, Román-Leshkov Y, Olivetti E. Pan E, et al. Among authors: roman leshkov y. ACS Cent Sci. 2024 Mar 6;10(3):729-743. doi: 10.1021/acscentsci.3c01615. eCollection 2024 Mar 27. ACS Cent Sci. 2024. PMID: 38559304 Free PMC article.

7

Self-assembly of noble metal monolayers on transition metal carbide nanoparticle catalysts.

Hunt ST, Milina M, Alba-Rubio AC, Hendon CH, Dumesic JA, Román-Leshkov Y. Hunt ST, et al. Science. 2016 May 20;352(6288):974-8. doi: 10.1126/science.aad8471. Science. 2016. PMID: 27199426

8

Spontaneous Electric Fields Play a Key Role in Thermochemical Catalysis at Metal-Liquid Interfaces.

Wesley TS, Román-Leshkov Y, Surendranath Y. Wesley TS, et al. ACS Cent Sci. 2021 Jun 23;7(6):1045-1055. doi: 10.1021/acscentsci.1c00293. Epub 2021 Jun 2. ACS Cent Sci. 2021. PMID: 34235265 Free PMC article.

9

Synthesis of α-methylene-δ-valerolactone and its selective polymerization from a product mixture for concurrent separation and polymer production.

Khechfe AA, Eckstrom FD, Chokkapu ER, Baston LA, Liu B, Chen EY, Román-Leshkov Y. Khechfe AA, et al. Among authors: roman leshkov y. Green Chem. 2024 Sep 18;26(20):10463-10472. doi: 10.1039/d4gc03016h. eCollection 2024 Oct 14. Green Chem. 2024. PMID: 39309015 Free PMC article.

10

Electrocatalytic Hydrogenation of Oxygenates using Earth-Abundant Transition-Metal Nanoparticles under Mild Conditions.

Carroll KJ, Burger T, Langenegger L, Chavez S, Hunt ST, Román-Leshkov Y, Brushett FR. Carroll KJ, et al. ChemSusChem. 2016 Aug 9;9(15):1904-10. doi: 10.1002/cssc.201600290. Epub 2016 Jun 23. ChemSusChem. 2016. PMID: 27337680

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