Indirect nuclear spin-spin couplings with third-order contributions added to the SOPPA method.

Rodrigo, Javier Sanz; Hillers-Bendtsen, Andreas Erbs; Kjeldal, Frederik Ø; Høyer, Nicolai M; Mikkelsen, Kurt V; Sauer, Stephan P A

Rodrigo, Javier Sanz; Hillers-Bendtsen, Andreas Erbs; Kjeldal, Frederik Ø; Høyer, Nicolai M; Mikkelsen, Kurt V; Sauer, Stephan P A.

Affiliation

Rodrigo JS; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.
Hillers-Bendtsen AE; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.
Kjeldal FØ; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.
Høyer NM; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.
Mikkelsen KV; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.
Sauer SPA; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.

J Chem Phys ; 158(12): 124118, 2023 Mar 28.

Article de En | MEDLINE | ID: mdl-37003784

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Langue: En Journal: J Chem Phys Année: 2023 Type de document: Article Pays d'affiliation: Danemark

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