Rudolph A. Marcus在RRK理论的基础上进一步考虑了分子内部正则振动(vibration)和转动(rotation)自由度的情况,以及前者中零点能量的存在。至此RRKM理论在形式上和过渡态理论(Transition State theory)达到了统一。 活化的A∗分子必须在反应途径中发生内部的能量转移形成活化络合物A≠,才能形成产物P,如(2-1)。关键步骤...
按照答除连编能至拿矿RRKM理论推算,高能量反应速率取决于其中是能量在和之间的量子态密度,以及活化分子中的活化量子态总和。较之RRK理论,时志曾组单头培介RRKM理论在形式上和过渡态理某唱经杨论(Transition St增官十校所概充推ate theory)达书春程双宜现卫探部川到了统一。
RRKM理论 /Rice-Ramsperger-Kassel-Marcus(RRKM) theory/ 最后更新2024-09-20 浏览132次 R.A.马库斯在RRK理论的基础上将过渡态理论应用于产物P反应的速率常数的计算。 英文名称 Rice-Ramsperger-Kassel-Marcus(RRKM) theory 所属学科 化学
To be of practical value these implementations must retain their efficiency, which is centered on the local nature of RRKM theory. In recent years, considerable progress has been made in many of these areas, but therestill remain a number of aspects where further developments are needed....
Rice-Ramsperger-Kassel-Marcus theory 【化】 RRKM理论文献(pubmed) 以下为句子列表:英文: It is mianly equipped with rice hulling machine for milling unpolished rice into polished rice and milling polished rice from rough rice by one time and is widely suitable for rice mills in urban and rural...
A collision complex model based on the RRKM theory of unimolecular decomposition is developed to describe spin‐forbidden molecular collision processes. Th... Tully,C John - 《Journal of Chemical Physics》 被引量: 226发表: 1974年 Generation and Characterization of Ionic and Neutral [HS-P-OH] /...
Unimolecular rate theory for various types of reactions is implemented for any looseness of transition state. Quantum states are counted for all but the “transitional” modes, their phase space being counted via Monte Carlo sampling. The rate constant kEJ is then weighted with the initial E and...
The microsopic rate constants of N( 4S)+CH 2X(X=F,Cl) reaction have been calculated by RRKM theory. The barrierless dissociation was handled with the loosing transition state model. The results reveal that when activated internal energy is low (280.29 kJ/mol), the major products of N( 4S...
The relative HCN/HNC branching ratios as a function of internal energy of vinyl cyanide were computed using RRKM theory and the kinetic Monte Carlo method. At low internal energies (120 kcal/mol), the total HCN/HNC ratio is about 14, but at 148 kcal/mol (193 nm) this ratio becomes 1.9...