Citation
Gt. Klimko et al., C-28 and C-48 fullerenes special properties, J MOL STRUC, 481, 1999, pp. 329-333
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
00222860
→ ACNP
Volume
481
Year of publication
1999
Pages
329 - 333
Database
ISI
SICI code
0022-2860(19990504)481:<329:CACFSP>2.0.ZU;2-M
Abstract
It was found that the ground state of the carbon cluster C-28 Of Td symmetr
y; is quintet having negative spin-densities. Another cluster C-48 Of Oh sy
mmetry manifests different instabilities but has the singlet groundstate Ag
-1 With alternation of bond lengths. The fee lattices for solid C-28 doped
by alkali-earth elements are examined and peculiarities of nonlinear optica
l property calculation of C-48 are discussed. (C) 1999 Elsevier Science B.V
. All rights reserved.