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Vibrational properties of C20-based solids

✍ Scribed by I. Spagnolatti; A. Mussi; M. Bernasconi; G. Benedek

Book ID
111620956
Publisher
Springer
Year
2003
Tongue
English
Weight
503 KB
Volume
37
Category
Article
ISSN
1434-6036

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Ab initio study of C20 isomers: geometry
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✍ Zhiqiang Wang; Paul Day; Ruth Pachter πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 361 KB

Geometry optimizations are performed for three isomers of C2o, namely the ring, bowl (corannulene-like), and cage (fullerene-like) configurations, using both the local density functional approximation (LDA), and gradient-corrected density functional theory (BLYP). The BLYP results confirm the previo