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A formula for the calculation of the nuclear spin coupling constant

✍ Scribed by Detlev Klöpper


Book ID
112999779
Publisher
Springer-Verlag
Year
1974
Weight
102 KB
Volume
37
Category
Article
ISSN
0001-6705

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The Calculation of Indirect Nuclear Spin
✍ Mark A. Watson; Paweł Sałek; Peter Macak; Michał Jaszuński; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

## 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