𝔖 Bobbio Scriptorium
✦   LIBER   ✦

NMR Spin−Spin Coupling Constants from Density Functional Theory with Slater-Type Basis Functions

✍ Scribed by Dickson, Ross M.; Ziegler, Tom


Book ID
121348574
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
305 KB
Volume
100
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Spin-orbit correction to NMR shielding c
✍ Vladimir G. Malkin; Olga L. Malkina; Dennis R. Salahub 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 715 KB

A new method based on density functional theory for the calculation of spin-orbit corrections to NMR shielding constants is presented. This approach provides the opportunity of calculating the relativistic spin-orbit correction, based on a DFT method which incorporates correlation effects and with t