And what I want to point out that we just figured out for molecular orbital theory, is that o2 is a biradical, because remember, the definition of a radical is when we have an unpaired electron. 我要指出的是,我们刚利用分子轨道理论,指导了O2是二价自由基,因为记住,自由基的定义是,有个未配对的电子。
Theoretical Study on the Biradical Reaction Mechanism of CH_2SH with NO_2 CH2SH与NO2双自由基反应机理的理论研究
The second significant characteristic of the ozonolysis reactions concerns the origin of the biradical species. 臭氧分解反应的第二个重要特征与二元基物质有关。
A biradical chain has almost no possibility to overcome this barrier of 6-ring formation. 双基链几乎没有可能克服形成6环的这种阻碍。
A Theoretical Study of the Reaction Mechanism of the Biradical CH 2 and O 3 双自由基CH2与O3反应机理的理论研究
Theoretical Design of Biradical High Spin Organic Molecules with Two-center Spin Source and Heterocycles as Ferromagnetic Coupling Units 以杂环为铁磁耦合单元的双中心双自由基高自旋有机分子的理论设计
The Quantum Chemistry Studies or the biradical Mechanism of Destroying Ozone in the Atmosphere 大气臭氧损耗中双自由基反应机理的量子化学研究
Theoretical Studies on Effect of Conformation on the Spin Multiplicity Ground State in Parity Ethylene Type Biradical System and Stability 构象对同位乙烯双自由基体系基态自旋多重度及其稳定性影响的理论研究
The Reaction Mechanism of the Biradical CF_ 2 and O_3 双自由基CF2与O3的反应机理
The third is concerted one. The theoretical study results show that the favorite exo and endo reaction paths of 1,3-cyclohexadiene with propylene are the stepwise processes via biradical intermediates, in which the terminal carbon of propylene attacks 1,3-cyclohexadiene at the first step. 经计算研究表明:1,3-环己二烯与丙烯生成exo和endo产物的有利途径为经过一个双自由基中间体的分步过程,由丙烯端位碳原子先进攻的分步过程最为容易。
Kagan. The author regarded that dehydrogenation and cyclization occur simultaneously with the biradical formation from paraffin, and the formation of biradical is the rate-controlling step during the course of the reaction of aromatization. 作者认为在烷烃形成双基的反应中,同时完成了脱氢和环化作用,而且在整个芳烃化历程中,双基的形成是反应控制步骤。
Theoretical design of high-spin biradical molecules with heterocycles as end groups 以杂环做端基的高自旋双自由基分子的理论研究
Thus, photostimulated single electron transfer in CTC followed by expelling chloride ion leads to a biradical, which couples intramolecularly. 所以,光诱导的单电子转移和随后的氯离子离去导致双游离基,双游离基分子内偶合成环。
Theory study on biradical systems with quinoline as coupling unit 以喹啉为耦合单元双自由基体系的理论研究
Generally, standard reduction potential of X-/ X ( X denotes model compounds) are more negative than that of X2-/ X-, but for the model compound which forms biradical anions, just the reverse. 一般X-/X(X代表模型化合物)的标准还原电势比X2-/X-要更负一些,但在能够形成双自由基阴离子的模型化合物中却相反。