calculations of the hypothetical carbonium ion transition structure for reaction of the olefin with the surface bridging OH group of the aluminosilicate, showing that in the indicated system it is possible to realize adsorption transition states which are similar to the carbonium ion in electric state...
transition state species and reaction path, “elementary NBO bond-switchesIRC geometry of saddle-point TS species along IRC pathwayTS species, challenging conventional structural characterizationIRC features and NBO/NRT, NRT bond orders in reaction pathways...
摘要: A potential transition state for the reaction catalysed by the enzyme estrone sulfatase (ES) has been derived.关键词: Sulfonamides Coumarins Sulfatases Enzyme Inhibitors Catalytic Domain Protein Conformation Models, Molecular Inhibitory Concentration 50 Estrone Structure-Activity Relationship DOI: ...
1)Reaction transition state反应过渡态 英文短句/例句 1.And probable reaction transition state has beensupposed.同时据此提出了可能的反应过渡态。 2.A Summary Of Theories on Changeable Transition State;β-消除反应中可变过渡态理论综述 3.Femtosecond Laser Pulses Research into Chemical Reaction of Transition ...
This chapter discusses recent advancements and commonly used techniques for exploring potential energy surfaces (PESs) are surveyed in the context of electronic structure methods. Specifically, minimization, transition state optimization, and reaction path following are discussed. In addition to reviewing cur...
An entropy model that can be used to quantitatively estimate the position of the transition state for unimolecular reaction is presented. A series of 12 isomeric reactions have been investigated to validate this model. It has been shown that the position of the transition state predicted by the ...
In the formalism of “transition state theory” the transition state of an elementary reaction is that set of states (each characterized by its own geometry and energy) such that an assembly of atoms, when randomly placed there, would have an equal probability of forming the reactants or of...
美 英 un.〔化〕过渡状态;过渡态;中间状态 英汉 英英 网络释义 un. 1. 〔化〕过渡状态 2. 过渡态 3. 中间状态 释义: 全部,〔化〕过渡状态,过渡态,中间状态
With this model, the rate constant of any elementary reaction can be calculated, if the structure of the activated complex is known. The general results of transition state theory lead to an understanding of some important predictions of geochemical interest. For example, the effect of ionic ...
accomplish transition,complete transition,transition bring,effect transition,prevent transition 权威英汉双解 英汉 英英 网络释义 transition 显示所有例句 n. 1. 过渡;转变;变革;变迁the process or a period of changing from one state or condition to another ...