화학공학소재연구정보센터
Journal of Chemical Physics, Vol.107, No.18, 7242-7251, 1997
The reaction volume Hamiltonian model: Further development and application
The reaction volume Hamiltonian model is extended and applied to the OH+H-2, reaction. A minimum energy path, which is a function of the hyperspherical coordinates rho, Theta and Phi, characterizing the reactive centers, has been calculated for the H spectator atom bound to the oxygen atom. Vibrational coupling coefficients, which occur in the Hamiltonian for this reactive system,have been computed. (C) 1997 American Institute of Physics.