单分子反应

激光相干控制CH3I单分子反应的实验研究

Coherent Laser Control over the Unimolecular Reaction of CH_3I

本文研究了CF2HCl在铂黑表面上的单分子反应，在压力较高时为零级，压力较低时为一级，表明此反应为典型的催化反应。

The unimolecular reaction of CF_2HCl dissociation on platinum black has been studied . At higher pressure , this reaction is zero order , while at lower pressure , it I first order . It implies that the reaction is a typical catalytic reaction .

啤酒中的硫化物探讨了含硫乳化液在极压状态单分子反应层生成的速率，乳化液比乳化油有较高的Pb极压值；

Sulphide in Beer The reacting speed of a layer sulphide is investigated under extreme pressure condition .

根据RRKM单分子反应理论，得到了相应的频率因子和活化熵值。

We also estimate the activated entropy and the reaction frequency factor by using RRKM theory .

对单分子反应机理的探索

The Exploration in the Process of the Molecular Reaction

内禀反应坐标法及其在单分子反应中的应用

The IRC method and its application to unimolecular reactions

本文综述偶电子离子的单分子反应。

A review of the unimolecular reactions of even electron ions is presented .

基态乙酸甲硫醇酯单分子反应机制的理论研究

A theoretical study on the unimolecular decomposition mechanism of S-methyl thioacetate on the ground state

以单分子反应为例，研究了与烧结有关的若干因素。

Several factors relative to the sintering process are studied with single molecule reactions as an example ;

本研究证实了链式通道的存在，阐明了1,2&二氯丙烷分解反应中单分子反应通道和链式反应通道共存的反应机理。

A mechanism including both unimolecular and chain reaction channel has been proposed for the decomposition of 1,2 & dichloropropane .

双分子反应和单分子反应都是在单个酸位上完成的。

The result showed that bimolecular hydride transfer reactions occurred on single acid site of zeolite surface just like monomolecular reactions .

链引发阶段单分子反应与双分子反应选择性的比率为4.2∶0.9。

The ratio of the selectivity of monomolecular reactions to bimolecular reactions was 4.2 ∶ 0.9 during the chain initiation period .

1-己烯、1-庚烯以及2-甲基-1-己烯的裂化反应基本都是单分子反应，且以靠近碳链中间位置的键断裂为主。

Reactions of 1-hexene , 1-heptene and 2-methyl - 1-hexene are monomolecular cracking . The C-C bonds near the carbon chain center are easy to crack .

H2FCS单分子分解反应的直接动力学研究

Direct Dynamics Study on the Unimolecular Decomposition Reactions of H_2FCS

单分子裂化反应在催化剂B上发生机率较大，表现为较高的液化气和丙烯产率，产品含有较高的烯烃。

Differently , monomolecular reaction was dominant over catalyst B , having higher LPG yield with higher propylene content .

在低压条件下燃料的单分子解离反应发挥着非常重要的作用，而随着压力的升高燃料会更趋向于通过H提取反应进行分解。

Unimolecular decomposition reactions play significant roles at low pressure , while H-abstraction reactions become more and more important as the pressure increases .

化学动力学中单分子热反应隧道效应计算程序KANDE

A Computer Program for Tunneling in Unimolecular Thermal Reaction System in Chemical Kinetics-KANDE

FCC催化剂孔道大，可以发生双分子裂化反应和单分子裂化反应，而DCC催化剂孔道小，以单分子裂化反应机理为主，同时DCC催化剂低碳烯烃选择性更高。

In larger pores of FCC base catalyst monomolecular cracking and bimolecular cracking reactions both took place but in smaller pores of DCC catalyst only monomolecular cracking took place . The shape selective mechanism accounts for the higher selectivity of light olefins on DCC catalyst than on FCC catalyst .

多组份单分子系统反应途径的计算机模拟

Reaction Path Simulation of Multicomponent Monomolecular System on Computer

非等温单分子化学反应体系中温度场的时空对称破缺及温度波

Spatio-temporal Symmetry-breaking of Temperature Field and Temperature Wave in a Nonisothermal Single-Molecule Chemical Reaction System

氯代甲苯双电荷离子的单分子解离反应研究

A Study on the Unimolecular Decomposition of the Doubly Charged Ions Produced from 4 Chloro-toluene Isomers

化学动力学中隧道效应的研究Ⅰ.甲醛单分子热反应中隧道效应的研究

Study on Tunneling Effect in the Chemical Kinetics I. Study on Tunneling in Thermal Unimolecular Reaction of Formaldehyde

介绍了一个包括隧道效应和曲率校正的单分子热反应速率常数的计算程序，该程序以微正则速率常数为基础，通过积分的方法求得热速率常数。

A comput program including tunneling effect and curvature correction on the thermal rate constants for unimolecular reactions has been introduced .

特别是随着压力的降低，由于滞留时间变短以及分子密度变低，因此模拟结果对单分子解离反应更为敏感。

The simulated results become much more sensitive to the unimolecular decomposition reactions at low pressure due to the decrease of resident time and molecular density .

离子中性复合物是气相离子反应中的一类重要中间体，往往被用来解释有机质谱的单分子碎裂反应中一些特殊的丢失现象。

Ion-neutral complexes , as a kind of important intermediate in gas phase reaction , are usually suggested to explain a number of otherwise puzzling reactions of ions in the gas phase .

结果表明，大庆蜡油在酸性催化剂上反应所产生的干气组成与高烯烃催化裂化汽油相同，干气的产生主要是单分子裂化反应所造成的。

The experimental results showed that the composition of dry gas produced from Daqing VGO in the presence of acidic catalyst was similar to that of cracking FCC olefin enriched gasoline , and dry gas was mainly produced through monomolecular mechanism .

对单分子气相反应Lindemann机理提出了一个不用稳态假设的动力学新表述，并指出经典表述中的稳态假设是主观硬性加上的，缺少了一个条件。

A new formulation of the Lindemann mechanism of unimolecular reactions in gaseous phase is presented , without the use of steady state hypothesis . It is pointed out that the steady state hypothesis used in the classical formulation is an ad hoc assumption , a condition is missing .

单分子断键反应的理论研究

Theoretical Study on Bond Breaking in Monomolecular Reaction

采用纳米级的探头，研究单分子的电化学反应；

Single molecule electrochemical reactions could be detected with the SECM and nanometre - scale tips .

当两个单体分子发生反应时，其产物中必须具有可与另一单体反应的官能团。

Whenever two monomer molecules react , the product must contain a functional group capable of reacting with another molecule of monomer .