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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| Title: | 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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| 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 |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 36873845 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Assigning <superscript>1</superscript>H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Nobile+AG%22">Nobile AG</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Trummer+D%22">Trummer D</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Berkson+ZJ%22">Berkson ZJ</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Wörle+M%22">Wörle M</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Copéret+C%22">Copéret C</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Payard+PA%22">Payard PA</searchLink>; 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. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101545951%22">Chemical science</searchLink> [Chem Sci] 2023 Feb 02; Vol. 14 (9), pp. 2361-2368. <i>Date of Electronic Publication: </i>2023 Feb 02 (<i>Print Publication: </i>2023). – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101545951 <i>Publication Model: </i>eCollection <i>Cited Medium: </i>Print <i>ISSN: </i>2041-6520 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2220416520%22">20416520 </searchLink><i>NLM ISO Abbreviation: </i>Chem Sci <i>Subsets: </i>PubMed not MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=36873845 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1039/d2sc06827c Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 2361 Titles: – TitleFull: Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Nobile AG – PersonEntity: Name: NameFull: Trummer D – PersonEntity: Name: NameFull: Berkson ZJ – PersonEntity: Name: NameFull: Wörle M – PersonEntity: Name: NameFull: Copéret C – PersonEntity: Name: NameFull: Payard PA IsPartOfRelationships: – BibEntity: Dates: – D: 02 M: 02 Text: 2023 Feb 02 Type: published Y: 2023 Identifiers: – Type: issn-print Value: 2041-6520 Numbering: – Type: volume Value: 14 – Type: issue Value: 9 Titles: – TitleFull: Chemical science Type: main |
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