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Isomers of C46fullerene with carbyne chains

โœ Scribed by A. I. Podlivaev, L. A. Openov


Book ID
119884657
Publisher
SP MAIK Nauka/Interperiodica
Year
2012
Tongue
English
Weight
418 KB
Volume
54
Category
Article
ISSN
1063-7834

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Semi-empirical and ab initio calculations are reported for the five Crs fullerenes with isolated pentagons. The optimized geometries and relative stabilities are discussed. The D3s structure previously favored on the basis of simple Hilckel arguments is found to be the least stable isomer at all the