𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Nuclear medicine Competitors or collaborators?

Publisher
Springer
Year
1994
Tongue
English
Weight
590 KB
Volume
21
Category
Article
ISSN
0340-6997

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πŸ“œ SIMILAR VOLUMES

Empirical and DFT GIAO quantum-mechanica
Empirical and DFT GIAO quantum-mechanical methods of 13C chemical shifts prediction: competitors or collaborators?
✍ Mikhail Elyashberg; Kirill Blinov; Yegor Smurnyy; Tatiana Churanova; Antony Will πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 508 KB

## Abstract The accuracy of ^13^C chemical shift prediction by both DFT GIAO quantum‐mechanical (QM) and empirical methods was compared using 205 structures for which experimental and QM‐calculated chemical shifts were published in the literature. For these structures, ^13^C chemical shifts were ca