Download or read book Theoretical Modeling of the Kinetics of Barrierless Reactions. Final Report written by and published by . This book was released on 2003 with total page 4 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent progress is reported on a research program aimed at developing and applying sophisticated transition state theory-based models for the kinetics of barrierless reactions of importance in combustion. Various applications involving the coupling of the variable reaction coordinate (VRC) transition state theory (TST) methodology with ab initio quantum chemical evaluations and/or master equation simulations were provided. Reactions studied included the C3H3 + H and C3H5 + H addition reactions, C2H3 + C2H2 and C2H5 + O2 reactions, and the unimolecular dissociation of ketene.