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Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides

โœ Scribed by Aydinol, M. K.; Kohan, A. F.; Ceder, G.; Cho, K.; Joannopoulos, J.


Book ID
121454118
Publisher
The American Physical Society
Year
1997
Tongue
English
Weight
554 KB
Volume
56
Category
Article
ISSN
1098-0121

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Pyridine adsorption onto metal oxides: a
โœ R. Ferwerda; J.H. van der Maas; F.B. van Duijneveldt ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 969 KB

In order to shed some light on the origin of the shifts of the vibrational frequencies of pyridine adsorbed on metal oxides, ab initio calculations have been performed. SCF methods may be used to assign and identify the pyridine vibrations of interest, although coupling of certain vibrational modes