reaction-control correction

On this basis, the dynamical properties along the reaction path and CVT ( canonical variational theory) rate constants with correction of tunneling effect are investigated by reaction path Hamiltonian theory and variational transition state theory.

在此基础上，计算沿反应途径的动态学性质和正则变分过渡态理论的速率常数，并进行隧道效应校正。

The thermodynamic and kinetic studies have been carried out on the reaction of singlet CCl2 and ozone O3 at 200K-2000K, using statistic thermodynamics and Eyring transition state theory with Wigner correction on the basis of quantum chemistry.

在量化计算的基础上运用统计热力学和Wigner校正的Eyring过渡态理论研究了不同温度下单重态CCl2和臭氧O3反应的热力学及动力学性质。

Spin effect and π-n off shell amplitude correction on π-nucleus double charge exchange reaction

π核双电荷交换反应的自旋效应和πN振幅离壳修正