AN AM1 STUDY OF THE MOLECULES OF [IO]ANNULENE AND [12]ANNULENE

Authors
HERNANDO JM ENRIQUEZ F QUIRANTE JJ
Citation
Jm. Hernando et al., AN AM1 STUDY OF THE MOLECULES OF [IO]ANNULENE AND [12]ANNULENE, Journal of molecular structure. Theochem, 106, 1993, pp. 131-138
Citations number
28
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
106
Year of publication
1993
Pages
131 - 138
Database
ISI
SICI code
0166-1280(1993)106:<131:AASOTM>2.0.ZU;2-R
Abstract
The AM1 semiempirical method has been used to predict the structures a nd relative stabilities of several (CH)(10) and (CH)(12) isomers. The planar D-5h structure is not a local minimum in the C10H10 hypersurfac e, but the other isomers have been characterized as minima of the hype rsurface.