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The Use of Three-Bond Spin-Spin Coupling Constants in the Determination of Conformations of Molecules in Solution

โœ Scribed by Feeney, J.


Book ID
120150905
Publisher
The Royal Society
Year
1975
Tongue
English
Weight
813 KB
Volume
345
Category
Article
ISSN
0962-8444

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## Abstract We present calculations of indirect nuclear spinโ€“spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linearโ€scaling techniques in the evaluation of the Coulomb and exchangeโ€cor