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- Reaction transition state 反应过渡态
- This transition state can only be entered from the Created state. 只能从Created状态进入这个转换状态。
- Know the theoretical model, solution, main conclusion, virtue and disadvantage of simple collision theory, transition state theory and unimolecular reaction theory. 了解简单碰撞理论、过渡态理论、单分子反应的理论模型、处理方法、主要结论和优缺点。
- 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。
- MNDO method has been employed respectively to investigate reaction pathway and to opti-mize structure of transition state for the isomerism of acetonitrile and 1-azirine. 采用MNDO方法对乙腈异构化成进行研究,得到了互变异构反应途径及其过渡态的几何构型。
- The nucleophilic activities of anlhraquinones were studied on the basis of AMI method.. The stability of transition state in reaction was related to the substitution position on anthraquinone ring. 采用AMI方法研究了蒽醌衍生物的亲核取代反应活性,结果表明,在蒽醌的1-位进行亲核取代反应可以形成较稳定的反应过渡态。
- Transition state (1 if the key is being released, 0 if the key is being pressed). 暂态(如果键是要被放开,则为1;如果键是要被按下,则为0)
- Impaired glucose tolerance (IGT) is a transition state between being healthy and having diabetes. 葡萄糖耐量减低(IGT)是健康状态与糖尿病中间的过渡阶段。
- The relationship between the aromatic transition state theory and Woodward-Hoffmann generalization are also discussed. 本文还讨论了芳香过渡态理论和woodward-Hoffmann定则的关系。
- The configuration of transition state is like as a trans disubstituted three cycle. 过渡态构型类似一个二取代的反式三元环结构.
- 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。
- Sub-health is a transitive state between health and disease. 亚健康是介于健康与疾病之间的过渡状态。
- The vibrational frequencies and vibrational modes of reactants, precursor complexs, transition state, successor complex and product were analyzed. 分析了反应物,前驱配合物,过渡态,后继配合物和产物的振动频率及振动模式。
- By the pressure behavior, the pressure drawdown curve may be divided into three phases, namely nonsteady state, transit state and pseudosteady state. 根据压力动态,压降曲线可以划分为非稳态、过渡和拟稳态三个阶段。
- FMR data show that the film of 5.2 ML has two magnetic phases, implying a transition state from superparamagnetic nano-cluster structure to continuous film. 色散关系曲线同样出现不对称现象,但原因与Fe/GaAs系统不同,土要是由于磁场和磁化强度的取向差较大所致。
- The objective of using Gaussian in this course is to understand better chemical reactions and transition state theory, in addition to the computations of thermochemistry. 本课程使用高斯的目的,是除了热化学计算,更好了解化学反应和过渡态理论。
- MNDO method and GAMESS90 programs have been employed respectively to investigate limited reaction pathways and to optimize structure of transition states for the keto-enol tautomerism. 采用MNDO方法和GAMESS90程序,对酮-烯醇互变异构进行了研究,得到了互变异构的极小能量反应途径及其过渡态的几何构型。
- 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。
- Many calculations of the properties of reactive intermediates and transition states have also been performed. 活性中间体和过渡状态性质的许多计算机也可能被实现。
- Many calculations of the properties of reactive intermediates and transition states have been performed. 活性中间体和过渡状态性质的许多计算被实现。