...过渡态理论 反应速度 构型 硅烯 [gap=731]DYNAMICS,CALCULATION,QUANTUM CHEMISTRY,PARAMETER,ENTROPY,ISOMERIZATION REACTION,TRANSITION STATE THEORY,REACTION RATE,CONFIGURATION,SILYLENE ..
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... 过渡状态理论 transition state theory 过渡状态事故 transition accident 过渡状态分子 transitionstatemolecule ...
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过渡态理论(transition state theory)：也称活化络合物理论，是关于反应速度的一种理论。该理论假定反应物分子在互相接近的过程中先被活化形成活化络合物即过渡态，过...
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Canonical Variational Transition State Theory 变分过渡态理论
Conventional Transition State Theory 传统过渡态理论
Variational Transition State Theory 变分过渡态理论
general transition state theory 传统过渡态理论
aromatic transition state theory 芳香过渡态理论
variation transition-state theory 变分过渡态理论
variation transition state theory 变分过渡态理论
Considering the quantum correction, the reaction rate constants were calculated using classical transition state theory.
利用经典过渡态理论，考虑量子化矫正，计算了反应的速率常数。
The rate constants within the temperature range from 300-2100k are calculated using conventional transition state theory.
然后采用传统过渡态理论计算了在300 ~ 2100k温度范围内的反应速率常数。
Energies of some optical transitions and the charge transfer transition are calculated based on the transition state theory.
用过渡态理论计算了部分光学跃迁和电荷转移跃迁的能量。
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