过渡态理论(Transition State Theory) 传统过渡态理论(Conventional Transition State Theory) 正则变分过渡态理论(Canonical Variational Transition State Theory) ..
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用传统过渡态理论和变分过渡态理论及相关的隧道效应校正计算了反应的速率常数。
The theoretical rate constants in the conventional transition state theory and the variational transition state theory with correction of tunneling effect were calculated.
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。
The rate constants within the temperature range from 300-2100k are calculated using conventional transition state theory.
根据传统过渡态理论、变分过渡态理论及相应的隧道效应校正，计算了本重排反应的反应速率常数。
The reaction rate constants have been calculated according to conventional transition state theory, variational transition state theory and tunneling corrections respectively.
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