Published December 15, 1995
| Version v1
Journal article
Theoretical studies of multishell fullerenes
Creators
- 1. Institute of Theoretical Chemistry, Jilin University, Changchun 130023 Jilin (China)
- 2. Department of Chemistry, Beijing Normal University, Beijing 100875 (China)
Description
In this paper two types of multishell fullerenes have been investigated. They are the multishells of the concentric circumspheres of polyhedra Cn (Ih, n=60k2) and Cn (Ih, n=180k2), respectively, where k is the sequence of positive integers 1,2, up to L, and L is the number of shells. The electronic structures of the multishell fullerenes have been calculated with the values of k from 1 to 25 for the first type, and the values of k from 1 to 14 for the second type. The van der Waals energies and the Gibbs functions for the formation of multishell fullerenes from the isolated shells have also been derived
Additional details
Publishing Information
- Journal Title
- Physical Review. B, Condensed Matter
- Journal Volume
- 52
- Journal Issue
- 24
- Journal Page Range
- p. 17435-17438.
- ISSN
- 0163-1829
- CODEN
- PRBMDO
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 27039161
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMIC CLUSTERS; ELECTRONIC STRUCTURE; FORMATION FREE ENTHALPY; FULLERENES; IRREDUCIBLE REPRESENTATIONS; MOLECULAR ORBITAL METHOD; STABILITY; VAN DER WAALS FORCES
- Descriptors DEC
- CALCULATION METHODS; CARBON; ELEMENTS; ENERGY; FREE ENTHALPY; NONMETALS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES