Relationships for total energies of C-n fullerenes and their derivatives containing nitrogen and boron atoms in the polyhedral carbon cage

Authors
Stankevich, IV Seto, R
Citation
Iv. Stankevich et R. Seto, Relationships for total energies of C-n fullerenes and their derivatives containing nitrogen and boron atoms in the polyhedral carbon cage, PHYS SOL ST, 43(10), 2001, pp. 1995-1998
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICS OF THE SOLID STATE
ISSN journal
10637834 → ACNP
Volume
43
Issue
10
Year of publication
2001
Pages
1995 - 1998
Database
ISI
SICI code
1063-7834(200110)43:10<1995:RFTEOC>2.0.ZU;2-W
Abstract
The relationships characterizing the ground-state total energies of polyhed ral carbon clusters and their derivatives containing boron and nitrogen ato ms in the polyhedral cage are derived. These relationships do not depend on computational details and can be used for testing ab initio and semiempiri cal methods. The field of application of the inequalities obtained is illus trated by several examples. (C) 2001 MAIK "Nauka/Interperiodica".