화학공학소재연구정보센터
Chemical Physics Letters, Vol.383, No.3-4, 288-291, 2004
On product state distributions in triatomic unimolecular reactions IV. Selfconsistency of the statisticodynamical approach
In a recent series of papers, we built up the so-called 'statisticodynamical approach' (SDA), a dynamically corrected transition state theory of rotational state distributions for elementary unimolecular dissociations governed by short-range forces. The dynamical correction was semi-empirical, requiring in part the use of the quasi-classical trajectory (QCT) method. The goal of the present note is the development of an iterative analytical procedure corroborating the QCT predictions and strengthening the selfconsistency of SDA. (C) 2003 Elsevier B.V. All rights reserved.