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Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst.

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Bibliographic Details
Title: Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst.
Authors: Nobile AG; ETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 CH-8093 Zürich Switzerland ccoperet@ethz.ch pierre-adrien.payard@univ-lyon1.fr., Trummer D; ETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 CH-8093 Zürich Switzerland ccoperet@ethz.ch pierre-adrien.payard@univ-lyon1.fr., Berkson ZJ; ETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 CH-8093 Zürich Switzerland ccoperet@ethz.ch pierre-adrien.payard@univ-lyon1.fr., Wörle M; ETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 CH-8093 Zürich Switzerland ccoperet@ethz.ch pierre-adrien.payard@univ-lyon1.fr., Copéret C; ETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 CH-8093 Zürich Switzerland ccoperet@ethz.ch pierre-adrien.payard@univ-lyon1.fr., Payard PA; ETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 CH-8093 Zürich Switzerland ccoperet@ethz.ch pierre-adrien.payard@univ-lyon1.fr.; Université de Lyon, Université Claude Bernard Lyon I, CNRS, INSA, CPE, UMR 5246, ICBMS Rue Victor Grignard F-69622 Villeurbanne Cedex France.
Source: Chemical science [Chem Sci] 2023 Feb 02; Vol. 14 (9), pp. 2361-2368. Date of Electronic Publication: 2023 Feb 02 (Print Publication: 2023).
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: eCollection Cited Medium: Print ISSN: 2041-6520 (Print) Linking ISSN: 20416520 NLM ISO Abbreviation: Chem Sci Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:2041-6520
DOI:10.1039/d2sc06827c