Authors
Citation
L. Turker, AM1 treatment of cyclacene tubes, J MOL ST-TH, 490, 1999, pp. 55-60
Citations number
36
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280
→ ACNP
Volume
490
Year of publication
1999
Pages
55 - 60
Database
ISI
SICI code
0166-1280(19991101)490:<55:ATOCT>2.0.ZU;2-X
Abstract
Semiempirical molecular orbital calculations at the level of AM1 type were
performed on the nanotubes generated from the Huckel type cyclacenes. It ha
s been found that the cryptoannulenic effect exhibited by the parent cyclac
enes tends to disappear as the tube length increases. (C) 1999 Elsevier Sci
ence B.V. All rights reserved.