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Approximate self-consistent molecular orbital theory of nuclear spin coupling. I. Directly bonded carbon-hydrogen coupling constants

✍ Scribed by Maciel, G. E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A.

Book ID: 121490874
Publisher: American Chemical Society
Year: 1970
Tongue: English
Weight: 1017 KB
Volume: 92
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00704a001

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📜 SIMILAR VOLUMES

Approximate self-consistent molecular or

Approximate self-consistent molecular orbital theory of nuclear spin coupling. II. Fermi contact contributions to coupling between carbon and directly bonded atoms

✍ Maciel, G. E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A. 📂 Article 📅 1970 🏛 American Chemical Society 🌐 English ⚖ 810 KB

Generalized relationship for calculation

Generalized relationship for calculation of nuclear spin—spin coupling constants between directly bonded carbon and hydrogen atoms

✍ Chang-Guo Zhan; Zhen-Min Hu 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 299 KB

## Abstract A generalized relationship to describe bond coupling constants is introduced. This expression includes the contributions for hybrid orbitals and the net atomic charges. The resulting expression provides an excellent description of directly bonded CH coupling constants. This equation is