Calculation of vibrational cyclic redundancies in planar rings

Authors
Mapelli, C Castiglioni, C Zerbi, G
Citation
C. Mapelli et al., Calculation of vibrational cyclic redundancies in planar rings, CHEM P LETT, 314(1-2), 1999, pp. 189-193
Citations number
10
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
314
Issue
1-2
Year of publication
1999
Pages
189 - 193
Database
ISI
SICI code
0009-2614(19991126)314:1-2<189:COVCRI>2.0.ZU;2-I
Abstract
A simple method is presented which allows us to compute in-plane cyclic red undancies. The case of a planar six-membered ring (such as the benzene mole cule) is solved in detail, thus giving expressions of redundancies that may be used for any condensed aromatic hydrocarbon and for graphite. A short e xample of the application to graphite is shown. (C) 1999 Elsevier Science B .V. All rights reserved.