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Structures and energies of isolobal (BCO)n and (CH)n cages
- Source :
- Journal of the American Chemical Society. Feb 23, 2005, Vol. 127 Issue 7, 2334-2338
- Publication Year :
- 2005
-
Abstract
- The structures and energies of isolobal (CH)n and (BCO)n polyhedral species are computed at the B3LYP density functional theory level. Unlike the (CH)n cages, the most stable (BCO)n polyhedra (n greater than equal to 10) prefer structures with the largest numbers of three-membered rings.
- Subjects :
- Carbonyl compounds -- Structure
Hydrocarbons -- Research
Chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 127
- Issue :
- 7
- Database :
- Gale General OneFile
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.132667443