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Modeling of the structure and electronic structure of condensed phases of small fullerenes C28and Zn@C28

โœ Scribed by A. N. Enyashin; V. V. Ivanovskaya; Yu. N. Makurin; A. L. Ivanovskii


Book ID
110139721
Publisher
SP MAIK Nauka/Interperiodica
Year
2004
Tongue
English
Weight
299 KB
Volume
46
Category
Article
ISSN
1063-7834

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We study geometries and the electronic structure of C90 fullerenes which possess the experimentally observed symmetries CI, C2, and C2v for C90 isomers extracted from soot but presently unidentified. We use the empirical model potential for the structural optimization of these fullerenes. Then, thei