The two-diradical T_1/ S_0 intersystem crossing points were located along the reaction path.

1、

The activation energy of the rate-determining step of the major reaction path was 365.75 kJ/ mol.

动力学支持的主反应路径为生成2-丁烯和乙烯的反应，决速步的活化能为365.75kJ/mol。

互联网摘选

2、

A Quantum Chemical Study of the C_6H_6-NO_2+ System(ⅲ)& The Analysis of Intermediates, Transition States and Reaction Path

C6H6-NO2~+体系的量子化学研究（Ⅲ）&中间体、过渡态和反应途径的分析

互联网摘选

3、

Quantum Topological Study on the Reaction Path of 1,1-Dehydrogenation of Methylenimine

甲亚胺1,1-脱氢反应途径的量子拓扑研究

互联网摘选

4、

The results indicate that in the gas phase and the liquid phase, the route D is the optimal reaction path.

计算表明在气相和液相下，路线D为优势路线。

互联网摘选

5、

IRC were performed for the optimal reaction path and the suboptimal reaction path.

我们还对最优反应通道和次优反应通道所涉及的过渡态进行了IRC计算。

互联网摘选

6、

Reaction Path Study of Preparation Ti_3SiC_2/ SiC Compound Materials by TiC/ Si Solid Reaction

TiC/Si固相反应制备Ti3SiC2/SiC复合材料的反应路径研究

互联网摘选

7、

The Reaction Path and Products of Self-propagating High-temperature Synthesis in Cr-Ti-B_4C System

Cr-Ti-B4C体系自蔓延高温合成反应路径及产物

互联网摘选

8、

Reaction path simulation on Np and Pu in loess-groundwater system

Np、Pu在黄土地下水系统中的反应路径模拟

互联网摘选

9、

Reaction path simulation of the change of major ions in groundwater in urban aquifer, north China

华北城市地区潜水中主要离子含量变化的反应途径模拟

互联网摘选

10、

Study on Reaction Path of Synthesizing Ammonia by Heat-equilibrium Low-temperature Plasma Method

常温等离子体法合成氨的反应途径探讨

互联网摘选

11、

The present status of the theoretical study of intermediate, transition state and reaction path of organic reaction

有机化学反应中间体、过渡态及反应途径的理论研究现状

互联网摘选

12、

Two-tier Optimization Method for Reaction Path Synthesis

反应路径综合的双层优化法

互联网摘选

13、

Reaction Path Simulation of Multicomponent Monomolecular System on Computer

多组份单分子系统反应途径的计算机模拟

互联网摘选

14、

Furthermore, the reaction path information is discussed in detail.

同时我们又详细的讨论了反应途径信息。

互联网摘选

15、

Multi-objective optimization of reaction path synthesis with consideration of reacting kinetics

考虑动力学的反应路径多目标优化方法

互联网摘选

16、

Mass Closed Cycle Approach to Reaction Path Synthesis

物质封闭循环的反应路径综合方法

互联网摘选

17、

In this thesis, we described a method used hydrothermal treatment to prepare pure nanocrystalline CdS, and also studied the effect of pre reaction material to the particle size and shape of the product.

本文给出了用水热技术制备CdS纳米粉的方法，并研究了采用不同的反应前驱物对产物粒度、形状的影响。

互联网摘选

18、

For these reaction temperatures and absorbent particle diameters, the kinetic zone diameter of the industrial grade lime is larger than that of reagent grade CaO particles.

在反应温度和颗粒直径相同的条件下，工业级石灰的动力区直径大于分析纯CaO的动力区直径。

互联网摘选

19、

Thirdly, replenish gasification phase change and heat reaction model of aluminum particle, atomization and phase change model of water droplets, radiation model for Aluminum/ Water Fuel Motor.

以铝／水燃料发动机复杂多相热内流场为研究对象，补充建立铝颗粒的气化相变和热反应模型、水液滴的雾化和相变模型、辐射模型。

互联网摘选

20、

From the viewpoint of chemical reaction kinetics, the particle size of ZnO QDs can be well designed upon their reaction-controlled crystallization processes in solution.

从反应动力学的角度出发，ZnO量子点颗粒的大小可以通过对反应体系中ZnO量子点结晶的设计来进行调控。

互联网摘选