Authors
Citation
Y. Justum et al., ONE-DIMENSIONAL QUANTUM DESCRIPTION OF THE BENDING VIBRATIONS OF HCN CNH/, Journal of molecular structure. Theochem, 453, 1998, pp. 131-140
Citations number
30
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
01661280
Volume
453
Year of publication
1998
Pages
131 - 140
Database
ISI
SICI code
0166-1280(1998)453:<131:OQDOTB>2.0.ZU;2-U
Abstract
Quantum mechanical eigenstates are calculated by the method of Gatti e
t al. [J. Mel. Spectrosc. 181 (1997) 403] for the bending deformations
of HCN and CNH described within the framework of a one-dimensional mo
del, i.e. along the reaction pathway for the isomerization reaction HC
N reversible arrow CNH, in using the potential energy surface of Bowma
n et al. [J. Chem. Phys. 99 (1993) 308]. (C) 1998 Elsevier Science B.V
. All rights reserved.