The reaction rate constants have been calculated according to conventional transition state theory variational transition state theory and tunneling corrections respectively .

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。

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。

As we said at the beginning of this message you are entering a critical transition state .

就像我们在这则讯息最开始所说的，你们正进入 转型的关键 状态。

This particular transition state has to do with the collapse of the collective lies of your culture .

这个特定的 过渡 状态与瓦解你们文化中的集体谎言有关。

The equilibrium structures and transition state have been optimized of which all have Cs symmetry .

优化得到平衡几何构型和 过渡 态结构，其均为平面分子，具有Cs对称性。

The structure transition state exists near every the energy transition state in the two reactions .

在这两个反应过程中，都在 过渡 态附近形成了环状的结构 过渡 态，结构 过渡 态与能量过渡态出现的先后次序与反应的热效应有关。

In transition state the coarseness of the wall of the tube act differently on the working fluids .

过渡 区时壁面粗糙度对不同工质的影响不同。

Transition state for the isomerization is studied by using reaction pathway method .

用反应途径法（reactionpathway）得到了甲酸顺反异构化的 过渡 态。

This paper analyses the calculated loads sustained on some aerial gunelements in its operating process in motion transition state .

本文分析了几个航炮零件在运动 渐变 状态工作过程中取得的计算载荷。

The result shows that the transition state of the rearrangement reaction has a three-membered ring structure .

结果表明，该重排反应经过一个三元环 过渡 态。

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。

And this will be a very helpful and important mind-skill as you enter further into this planetary transition state ( i.e.the emergence of multiple Chaotic Nodes ) .

当你进入这个行星更深的 转变 阶段时（即多重混乱事件的出现），它将成为非常有帮助且重要的“心智技巧”。

All above results show that the reaction experiences the six-member ring transition state with two-step path .

这表明该反应主要经历六元环 过渡 态的两步反应历程。

Three models of theories on changeable transition state in β - cancellation reaction were summed up .

综述了β-消除反应中可变 过渡 态理论的3种模型。

Then what is the reason of corruption at the transition state of our system .

那么，在我 国新旧体制 转型 时期，导致腐败现象产生的原因是什么？

Your planet is entering a critical transition state characterized by a multiplicity of Chaotic Nodes .

你们的星球正在进入一个关键性的 过渡 状态，其特征是出现了多重乱世高潮点。

One of the greatest difficulties for embodied beings is the transition state of consciousness you call death .

对于一个身处肉体中的存有来说，最大的困难之一就是：你们称之为死亡的意识的 过渡 状态。

The geometries relative energies and activation energy of the tautomer and transition state were determined .

确定了互变异构体及 过渡 态的几何构型、相对能量和活化能。

The geometry optimizations of reactant transition state intermediate and product are made at MP_2 / SDD level .

MP2/SDD水平上优化了反应物、 过渡 态、中间体和产物的几何构型。

The transition state structures were further confirmed by calculating the analytical force constant matrix .

对 过渡 态结构都用分析力常数矩阵计算进行了确证。

Also 8 minimum points and 6 transition state are optimized under HF / 6-31G ( d ) level .

此外，还在HF／6-31G（d）水平下计算了6个 过渡 态和8个极小点的优化构型。

The three-member ring structure transition region and structure transition state were found out .

得到了各反应通道的结构过渡区和结构 过渡 态。

The transition state of complicated reactions can be conformed with the method which can instruct experimental research .

利用该方法可以确定复杂反应 过渡 态，从而为实验研究起理论指导作用。

Finally the thermodynamic and kinetic parameters have been investigated based on the statistical thermodynamics and transition state theory .

基于统计热力学方法和 Eyring的绝对反应速率理论求得该反应的热力学和动力学参数。

The equilibrium states and the transition state have been verified according to the number of imaginary frequency through vibrational analysis .

通过振动分析对平衡态和 过渡 态进行了验证，并得到了零点能。

This article discusses the femto-chemistry because it involves femtosecond laser pulses and its research or monitor into chemical processes of transition state and intermediate .

讨论由飞秒激光脉冲所构成的飞秒化学，及其对化学反应 过渡 状态或中间体的研究和检测。

You have entered a transition state of consciousness .

此时你就已经进入了一个“意识的 过渡 状态”。

Using this method the reaction potential energy surface of other stationary points were optimized geometries has been the result of a transition state and one intermediate .

运用这种计算方法对反应势能面上其它驻点进行几何构型优化，得到了的一个 过渡 态结果和一个中间体。

This simple vibratory realm will be a great ally to you as you pass through the current planetary transition state .

这个简单易行的振动状态，将会是一个伟大的伙伴，伴你通过行星当前的 转变 阶段。