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First-Principles Calculation of the 17 O NMR Parameters in Ca Oxide and Ca Aluminosilicates: the Partially Covalent Nature of the Ca−O Bond, a Challenge for Density Functional Theory

✍ Scribed by Profeta, Mickaël; Benoit, Magali; Mauri, Francesco; Pickard, Chris J.


Book ID
120509396
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
162 KB
Volume
126
Category
Article
ISSN
0002-7863

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