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Aurophilic Interactions Studied by Quantum Crystallography

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cris.lastimport.scopus2024-02-12T20:00:33Z
dc.abstract.enThis is the first use of a wave-function-based crystallographic method to characterize aurophilic interactions from X-ray diffraction data. Theoretical calculations previously suggested the importance of electron correlation and dispersion forces, but no influence of relativistic corrections to the Au...Au interaction energy was found. In this study, we confirm the importance of relativistic corrections in the characterization of aurophilic interactions in addition to electron correlation and dispersion.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorPawlędzio, Sylwia
dc.contributor.authorMalińska, Maura
dc.contributor.authorGrabowsky, Simon
dc.contributor.authorWoźniak, Krzysztof
dc.contributor.authorKleemiss, Florian
dc.date.accessioned2024-01-24T16:58:45Z
dc.date.available2024-01-24T16:58:45Z
dc.date.copyright2022-03-01
dc.date.issued2022
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number10
dc.description.versionFINAL_PUBLISHED
dc.description.volume61
dc.identifier.doi10.1021/ACS.INORGCHEM.1C03333
dc.identifier.issn0020-1669
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/101324
dc.identifier.weblinkhttps://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.1c03333
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofInorganic Chemistry
dc.relation.pages4235-4239
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleAurophilic Interactions Studied by Quantum Crystallography
dc.typeJournalArticle
dspace.entity.typePublication