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Ab initio study of the J(CC) indirect nuclear spin-spin coupling constants in cyclobutane and related systems

✍ Scribed by V. Galasso


Book ID
103665298
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
508 KB
Volume
117
Category
Article
ISSN
0301-0104

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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