Accurate quantum dynamics of a combustion reaction:: Thermal rate constants of O(3P)+CH4(X1A1)→OH(X2Π)+CH3(X2A2)

A quantum dynamics study of a polyatomic combustion reaction accurately considering all its internal degrees of freedom is presented. The thermal rate constants for the O(P-3)+CH4(X (1)A(1))-->OH(X (2)Pi)+CH3(X (2)A(2)(')) reaction is calculated and compared to experimental and approximate theoretical results. Good agreement with experiment is found and the reliability of some of the approximate approaches is confirmed. (C) 2002 American Institute of Physics.