1) improved canonical variational transition state (theory)
改进的正则变分过渡态理论
2) canonical variational transition state theory
正则变分过渡态理论
1.
The rate constants for the title reaction are calculated by canonical variational transition state theory(CVT) with small-curvature tunneling(SCT) correction in the temperature range 200 .
利用正则变分过渡态理论,结合小曲率隧道效应校正(CVT/SCT)方法计算了该反应的两个可行的反应通道在200 K~2 000 K温度范围内的速率常数。
3) variational transition state theory
变分过渡态理论
1.
In this review we provide new application of variational transition state theory-inreaction at gas-solid interface ,with emphasis on dissociation absorption of gas-phase moleculeon the surface of face-centered cubic crystal.
提供了变分过渡态理论的新应用－用于气固界面上的反应，重点是气相分子在面心立方晶体上发生的解离吸附反应，给出了反应的物理图象，用新的势能面计算了Ｈ＿２在Ｎｉ（１００）面上的解离吸附的速率常数，结果与Ｔｒｕｈｌａｒ的结果相符。
2.
A transplanted and reformed variational transition state theory is used to calculate the reaction rate constants for titled state-selected reactions, which pass some distinctly vibrational excited transition states.
本文用移植改造的变分过渡态理论,计算了标题中反应经过不同振动激发过渡态时的速度常数,发现给定相同的能量,过渡态的弯曲振动模式的激发比伸缩振动模式激发更有利于反应的进行,本文还分析了反应的动力学瓶颈区性质。
4) Transition state theory
过渡态理论
1.
In this paper,the rate constant and equilibrium constant of the crack reaction of methyl silicane were obtained with the transition state theory and quantum chemistry calculation.
本文采用过渡态理论和量子化学计算方法 ,首次计算得到了甲硅烷裂解反应的速率常数和平衡常数 ,并对结果进行了讨论。
2.
On the basis of the quantum chemistry theory and the transition state theory, the degradation reactions of 1,1,1,2-tetrafluoroethane (HFC-134a) and 1,1-difluoroethane (HFC-152a) in the atmosphere are investigated theoretically to reveal their mechanism and kinetics properties.
采用过渡态理论加Eckart隧道效应校正(TST/Eckart)在200-1000K温度范围内计算了反应速率与温度变化的关系式分别为HFC-134a + OH:k(T) =1。
6) modified Slater transition-state method
改进过渡态法
补充资料：王法正理论
【王法正理论】
（书名）一卷，唐玄奘译。与不空译之王法正论经同本，皆瑜伽论决择分中寻伺地之别行也。说帝王十种之过失，十种之功德，五种之衰损法，五种之方便法，五种之可爱法，五种之能引可爱法。
（书名）一卷，唐玄奘译。与不空译之王法正论经同本，皆瑜伽论决择分中寻伺地之别行也。说帝王十种之过失，十种之功德，五种之衰损法，五种之方便法，五种之可爱法，五种之能引可爱法。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条