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Anisotropy of the indirect nuclear spin-spin coupling constant

✍ Scribed by Michael Barfield


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
375 KB
Volume
4
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


Anisotropy of the indirect nuclear spin-
✍ H. Nakatsuji; K. Hirao; H. Kato; T. Yonezawa 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 380 KB

The finite perturbation method is apptied to the calculation of the anisotropy of the indirect nuclear spin-spin coupling constants. For CXQF, all the elements of the tialculated coupling tensors become larger than those reported in Paper I of this series. However. for the C-H coupling anisotropy. t

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

Indirect nuclear spin-spin coupling cons
✍ Preben Albertsen; Poul Jørgensen; Danny L. Yeager 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 348 KB

The multiconfigurational coupled Hartree-Fock expression for the Fermi contact contnbution to the indirect nuclear spin-spin coupling constants is derived. Numerical calculations on Hz and FH indicate that the nuclear spin-spin coupling is \er)i difficult to describe in finite basis set calculations