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Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries.

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Title: Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries.
Authors: Trummer D; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland., Searles K; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland., Algasov A; The Smart Materials Research Institute, Southern Federal University, Sladkova 178/24, Rostov-on-Don, Russia, 344090.; Institute of Mathematics, Mechanics and Computer Science, Southern Federal University, Milchakova 8a, Rostov-on-Don, Russia, 344090., Guda SA; The Smart Materials Research Institute, Southern Federal University, Sladkova 178/24, Rostov-on-Don, Russia, 344090.; Institute of Mathematics, Mechanics and Computer Science, Southern Federal University, Milchakova 8a, Rostov-on-Don, Russia, 344090., Soldatov AV; The Smart Materials Research Institute, Southern Federal University, Sladkova 178/24, Rostov-on-Don, Russia, 344090., Ramanantoanina H; Paul-Scherrer-Institute, CH-5232 Villigen, Switzerland., Safonova OV; Paul-Scherrer-Institute, CH-5232 Villigen, Switzerland., Guda AA; The Smart Materials Research Institute, Southern Federal University, Sladkova 178/24, Rostov-on-Don, Russia, 344090., Copéret C; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland.
Source: Journal of the American Chemical Society [J Am Chem Soc] 2021 May 19; Vol. 143 (19), pp. 7326-7341. Date of Electronic Publication: 2021 May 11.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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