Transmission coefficient remedied Transition State Theory

Transmission coefficients of vibrational states and rotational states of three-atom transition state complexes are got from the tunneling reactive probabilities. The vibrational transmission coefficients can be got by statistically averaging above transmission coefficients over bend vibrational states and rotational states. The conventional transition state theory is remedied by the transmission coefficient. It can be found from the comparison between the calculated values from remedied TST and the experiment values: the calculated rate constant values remedied by the transmission coefficients are better agreement with the experiment results than the those got from the conventional transition state theory within low temperature.