One-bond 13 C- 13 C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state 13 C NMR and X-ray crystallography

Methyl aldohexopyranosides were C-labeled at contiguous carbons, crystallized, and studied by single-crystal X-ray crystallography and solid-state C nuclear magnetic resonance (NMR) spectroscopy to examine the degree to which density functional theory (DFT) can calculate one-bond C- C spin-coupling...

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Bibliographic Details

Published in:	Physical chemistry chemical physics : PCCP Vol. 25; no. 23; p. 16048
Main Authors:	Tetrault, Timothy, Meredith, Reagan J, Yoon, Mi-Kyung, Canizares, Christopher, Oliver, Allen G, Carmichael, Ian, Serianni, Anthony S
Format:	Journal Article
Language:	English
Published:	England 15.06.2023
ISSN:	1463-9084
Online Access:	Get more information
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