BEBO C alculations for hydrogen abstraction by 0(3P)

Rate constants for hydrogen transfer reactions from C—H bonds to O(3P) in the gas phase have been calculated by the bond‐energy bond‐order method. The use of a single or double triplet repulsion term is discussed. Computational results indicate that with carefully selected input parameters, it is unnecessary to use a double‐repulsion term. Tunneling corrections were carried out by two different procedures. Results indicate that in this case there is not much difference between the simple Wigner's treatment and more complicated methods.