Application of the reaction path method to the reaction: H+CH4→H2+CH3 Original Research Article

The reaction path method is an approximate theory which allows analyses of complex chemical reactions and the calculation of state resolved and total reaction rate constants using just information on gradients and hessians along the reaction path. In the present paper the reaction path theory is used to study the title reaction. The rate constants are compared with results obtained using more approximate theories as the transition state and variational transition state results as well as accurate and approximate quantum dynamical theories.