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Theoretical energy minimisation and optimisation of structures of C60 fullerene compounds

✍ Scribed by Robert Fabiański; Bogdan Kuchta

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
249 KB
Volume
6
Category
Article
ISSN
1616-301X

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✦ Synopsis

The results of theoretical calculations of equilibrium structures of C,,.4C6H, and Cso-2[(C,H,),P]AuCI crystals at temperature T= 0 K have been presented. It has been shown that the '6-exp'-type interaction model is not able to reproduce experimental structural parameters. The real forces seem to be more attractive.

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