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Calculations of spin-spin coupling constants in molecules by the CNDO/SP method

✍ Scribed by G. M. Zhidomirov; A. Ya. Shteinshneider; I. A. Abronin

Book ID
112360270
Publisher
Springer
Year
1979
Tongue
English
Weight
251 KB
Volume
15
Category
Article
ISSN
0040-5760

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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