From rate constants to potential energy hypersurfaces through the transition state theory formalism. Evaluation of the activation barriers of some hydrogen abstraction reactions

This publication has 41 references indexed in Scilit:

• A theoretical study of deuterium isotope effects in the reactions molecular hydrogen + methyl and atomic hydrogen + methane
  The Journal of Physical Chemistry, 1984
• Theoretical study of hydrogen abstraction reactions CH4 + R → CH3 + HR, geometrical, energetical and kinetical aspects
  Theoretical Chemistry Accounts, 1984
• Development of transition-state theory
  The Journal of Physical Chemistry, 1983
• Kinetic study of the reaction of hydroxyl with hydrogen and deuterium from 250 to 1050 K
  The Journal of Physical Chemistry, 1981
• Symbolism and terminology in chemical kinetics (Appendix no. V to manual of symbols and terminology for physicochemical quantities and units)
  Pure and Applied Chemistry, 1981
• Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules
  The Journal of Physical Chemistry, 1979
• Accuracy of tunneling corrections to transition state theory for thermal rate constants of atom transfer reactions
  The Journal of Physical Chemistry, 1979
• Exact tunneling calculations
  Journal of the American Chemical Society, 1971
• The tunnel effect correction for parabolic potential barriers
  Transactions of the Faraday Society, 1959
• The application of quantum mechanics to chemical kinetics
  Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1933