𝔖 Bobbio Scriptorium
✦   LIBER   ✦

New operators for calculation of indirect nuclear spin–spin coupling constants

✍ Scribed by Chipman, Daniel M.; Rassolov, Vitaly A.


Book ID
121761098
Publisher
American Institute of Physics
Year
1997
Tongue
English
Weight
306 KB
Volume
107
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


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