NMR parameters of FNNF as a test for coupled-cluster methods: CCSDT shielding and CC3 spin –spin coupling

Phys. Chem. Chem. Phys., 2020, Advance Article DOI: 10.1039/D0CP02730H, PaperMicha ł Jaszuński, Stephan P. A. Sauer, Rasmus Faber, David J. D. Wilson NMR shielding and spin –spin coupling constants ofcis andtrans isomers of FNNF have been determined to near-quantitative accuracy fromab initio calculations. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
Source: RSC - Phys. Chem. Chem. Phys. latest articles - Category: Chemistry Authors: Source Type: research
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