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Structure and stability of C48 fullerenes

Authors :
Hai-Shun Wu
Xiao-Hong Xu
Haijun Jiao
Source :
Journal of Physical Chemistry A. April 29, 2004, Vol. 108 Issue 17, 3813-3816
Publication Year :
2004

Abstract

The vertical ionization potentials and the energy as well as the nucleus independent chemical shift (NICS) at the cage center are computed for the first four most stable isomers. The structure and stability of 27C(sub 48) fullerene is computed at B3LYP.

Subjects

Subjects :
Chemistry, Physical and theoretical -- Analysis
Ionization -- Analysis
Isomerism -- Research
Isomerism -- Structure
Isomerism -- Properties
Chemicals, plastics and rubber industries

Details

Language :
English
ISSN :
10895639
Volume :
108
Issue :
17
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.122393828

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