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Mott?Littleton calculations in solid-state chemistry and physics

✍ Scribed by Catlow, C. Richard A.

Book ID
121307691
Publisher
The Royal Society of Chemistry
Year
1989
Weight
387 KB
Volume
85
Category
Article
ISSN
0300-9238

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## Abstract This article presents results of first‐principles calculations of quadrupolar parameters measured by solid‐state nuclear magnetic measurement (NMR) spectroscopy. Different computational methods based on density functional theory were used to calculate the quadrupolar parameters. Through