You are here: Home :: Area NEM :: Chemistry :: Physical chemistry

J. Hauschildt, J. Weiß, R. Schinke

Influence of Vibrational Resonances and Coriolis Coupling on Dissociation Rates in the Near-threshold Unimolecular Fragmentation of HOCl

The unimolecular dissociation of HOCl in the ground electronic state near the HO+Cl fragmentation threshold is investigated employing an ab initio potential energy surface. The dynamics calculations are performed by using an imaginary absorbing potential and filter diagonalization. The computational study is mainly focused on the influence of accidental or systematic vibrational resonances on the total angular momentum dependence of dissociation rates and the importance of Coriolis interaction.

Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0942-9352
Volume: 214, 05/2000
Pages: 609

Journal homepage (external site)

Show all available items of this journal

 

Area NEM