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Calculation of the n.m.r. Spin-Spin Coupling Constants in Ethylene

✍ Scribed by Armour, E. A. G.; Stone, A. J.


Book ID
120143301
Publisher
The Royal Society
Year
1967
Tongue
English
Weight
393 KB
Volume
302
Category
Article
ISSN
0962-8444

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The Calculation of Indirect Nuclear Spin
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## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor