Journal of Chemical Physics, Vol.101, No.10, 9198-9201, 1994
A First Principles Theoretical Determination of the Rate-Constant for the Dissociation of Singlet Ketene
Keywords:FLEXIBLE TRANSITION-STATES;ELECTRON CORRELATION-ENERGY;PERTURBATION-THEORY;UNIMOLECULAR REACTIONS;REACTION COORDINATE;BOND-BREAKING;MODEL;CH2CO;CO;PHOTOFRAGMENTATION