THE CALCULATION OF CHEMICAL TRANSITION-STATE ENTROPY AND ITS APPLICATION
Ju G · Acta Chimica Sinica · 1985
A method for the calculation of the transition-state entropies of chemical reaotions using the properties of their potential energy surface is presented. The entropies of reactions H+O_2, O+H_2 and H_2+OH and their A-factors in Arrhenius' equation were calculated with this method.