An efficient DFT method of predicting the one-, two- and three-bond indirect spin–spin coupling constants involving a fluorine nucleus in fluoroalkanes-Reference-Cited by-同舟云学术

An efficient DFT method of predicting the one-, two- and three-bond indirect spin–spin coupling constants involving a fluorine nucleus in fluoroalkanes

Published:2016 Issue:86 Volume:6 Page:82783-82792
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Gryff-Keller Adam¹²³⁴,Szczeciński Przemysław¹²³⁴

Affiliation:

1. Faculty of Chemistry

2. Warsaw University of Technology

3. 00-664 Warszawa

4. Poland

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.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA15343G

Reference67 articles.

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