Information Theory Approach to Molecular Reaction Dynamics

The information theoretic approach was introduced (1-7) as a procedure to compact, codify, and correlate the large amounts of data that were becoming available from experimental and computational studies of molecular collisions. In so doing, a large number of papers, presenting the theory and its diverse application, were generated. The purpose of this review is to compact, codify, and correlate the litera­ ture of the first five years ( 1972-1977). The initial objectives of the formalism were rapidly augmented. Links are forged with a thermodynamic point of view (6, 8,9, 10), predictive capabilities were explored (1 1 -16), the analysis of energy disposal (2-8) was complemented by a corresponding analysis of energy consumption ( 17, 18), and a formulation as a dynamical theory (be it quantal or classical) was provided ( 19, 20). This review, however, does not stray from its avowed purpose. It thus cannot replace the handbooks for would-be practitioners (21, 22) nor the detailed presen­ tations aimed at a systematic introduction with illustrative applications (23-25). A survey of actual applications to molecular collisions is provided in two tables and in two sections divided along the traditional lines of inelastic (energy transfer) and rearrangement (reactive) collisions. The literature coverage in these two sections is fairly exhaustive. Potential directions for future work conclude the review.