An efficient DFT method of predicting the one-, two- and three-bond indirect spin–spin coupling constants involving a fluorine nucleus in fluoroalkanes
Open Access
- 26 August 2016
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in RSC Advances
- Vol. 6 (86) , 82783-82792
Abstract
The values of the indirect nuclear spin–spin coupling constants for a series of aliphatic fluorocompounds have been calculated using DFT-based methods and compared with the experimental values of these parameters.Keywords
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