Rate constant calculation for thermal reactions : methods and applications 1. Overview of thermochemistry and its application to reaction kinetics Elke Goos and Alexander Burcat 2. Calculation of kinetic data using computational methods Fernando P. Cossío 3. Quantum instanton evaluation of the kinetic isotope effects and of the temperature dependence of the rate constant Jiří Vaníček 4. Activation energies in computational chemistry : a case study Michael Busch Elisabet Ahlberg and Itai Panas 5. No barrier theory : a new approach to calculating rate constants in solution J. Peter Guthrie 6. Quantum chemical and rate constant calculations of thermal isomerizations decompositions and ring expansions of organic ring compounds its significance of cohbusion kinetics Faina Dubnikova and Assa Lifshitz 7. Challenges in the computation of rate constants for lignin model compounds Ariana Beste and A. C. Buchanan III 8. Quantum chemistry study on the pyrolysis mechanisms of coal related model compounds Wang Baojun Riguang Zhang and Ling Lixia 9. Ab initio kinetic modeling of free radical polymerization Michelle L. Coote 10. Intermolecular electron transfer reactivity for organic compounds studied using Marcus Cross Rate Theory Stephen F. Nelson and Jack R. Pladziewicz