Skip navigation
Skip navigation

A classical trajectory study of sym-triazine photodissociation on an interploated potential energy surface

Song, Kihyung; Collins, Michael

Description

The photodissociation of sym-triazine by 295 nm light was studied by the classical trajectory method. The dynamics was evaluated on an interpolated approximation to the ground state potential energy surface (PES), constructed using a density functional theory. Trajectories were initiated in the vicinity of the saddle point on the reaction path which leads symmetrically to three HCN products, and used to estimate the translational, rotational and vibrational energies of the products. The...[Show more]

CollectionsANU Research Publications
Date published: 2001
Type: Journal article
URI: http://hdl.handle.net/1885/92716
Source: Chemical Physics Letters
DOI: 10.1016/S0009-2614(01)00020-3

Download

File Description SizeFormat Image
01_Song_A_classical_trajectory_study_2001.pdf133.82 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  20 July 2017/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator