In molecular orbital theory, we named orbits based on their symmetry.
在分子轨道理论中，我们基于轨道的对称性给它们命名。
Today we're talking about molecular orbital theory.
今天我们要讲的是分子轨道理论。
So, molecular orbital theory, on the other hand, is based on quantum mechanics.
另一方面分子轨道理论，是基于量子力学的。
So in molecular orbital theory, what we did was we named orbitals based on their symmetry.
在分子轨道理论中，我们基于轨道的对称性给它们命名。
The active atoms and bonds of reaction were provided by frontier molecular orbital theory.
用前线分子轨道理论分析了反应的活性原子和活性键。
Molecular Orbital Theory and Pericyclic Reactions: Modern concepts of bonding and aromaticity.
轨道理论和周环反应：关于化学键和芳香性的现代概念。
So we're going to limit in our discussion in 511-1 for molecular orbital theory to diatomic molecules.
我们在这个课堂上对分子轨道1，理论的讨论仅限于双原子分子。
The relation between resonance theory and molecular orbital theory was illustrated by concrete examples.
通过实例说明了共振论与分子轨道理论的关系。
This paper analyzes shell electron pair repulsion theory , valence-bond theory and molecular orbital theory on molecular structure of noble gas compounds.
对稀有气体化合物的分子结构分别用“价层电子对互斥理论”、“价键理论”和“分子轨道理论”进行了分析处理。
The reactivities and selectivities of aliphatic and aromatic free-radical(substitution)reactions were explained semi-quantitatively by the perturbation molecular orbital theory.
从而用微扰分子轨道理论半定量地解释了脂肪族的游离基取代和芳香族的游离基取代反应的反应性和选择性。
The dissertation is devoted to the properties study of diamond and zinc nitride semiconductor materials from first-principles, molecular orbital theory and semiconductor theory.
本论文的工作是通过第一性原理计算，结合分子轨道理论和半导体理论等对金刚石和氮化锌半导体电子材料的相关性质进行探索和研究。
The spatial configurations and bonding effects of Oxides of Nitrogen were explained by using the Valence-shell Electron Repulsion Theory, Hybrid-orbital Theory and Molecular orbital Theory.
用杂化轨道理论和分子轨道理论阐明了氮的氧化物成键类型，给出了分子空间构型及结构数据的解释。
And what I want to point out that we just figured out for molecular orbital theory, is that o 2 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。
Whereas in molecular orbital theory, what I'm telling you is instead we understand that the electrons are spread all over the molecule, they're not just associated with a single atom or a single bond.
而在分子轨道理论里，我要告诉你们的时，我们任为电子分布在整个分子中，它们不仅仅是和，一个原子或者一个键有关。
The result is explained qualitatively with the theory of frontier molecular orbital.
根据前线分子轨道理论，对实验结果提出了定性的解释。
According to the molecule orbital theory, the oxidation spontaneous combustion reaction of the low molecular compound in coal takes place at the atoms which charge density is thick.
根据分子轨道理论，煤中低分子化合物的氧化自燃反应发生在电荷密度较大的原子部位，计算得到了煤有机质中低分子化合物发生氧化自燃反应的活性点。
Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.
利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N - H…O蓝移氢键进行了详细的研究。
Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.
自然键轨道分析表明分子内与分子间超共轭和重杂化理论可以解释这些氢键的形成机制。
VB theory and molecular orbital (mo) theory are the two most influential quantum-mechanical theories of chemical structure and nature of the chemical bond nowadays.
VB理论和分子轨道(MO)理论是当今说明化学结构和化学键本质的最有影响的量子力学理论。
The reaction mechanism of 4-methyl-5-ethenyl-heptanitril e oxide cycloaddition is studied with the molecular orbital AM1 method and transit ion state theory.
用过渡状态理论和量子化学AM1方法，对4 甲基5 烯庚腈氧化物环加成反应机理进行了研究。
The reaction mechanism of 8-dimethyl-7-methoxy-5-ethenyl-nonanenitrile oxide cycloaddition has been studied with the molecular orbital AM1 method and transition state theory.
用过渡态理论和AM 1方法，对8-二甲基- 7-甲氧基- 5 -烯-壬腈氧化物分子内环加成反应机理进行了研究。
The reaction mechanism of 8-dimethyl-7-methoxy-5-ethenyl-nonanenitrile oxide cycloaddition has been studied with the molecular orbital AM1 method and transition state theory.
用过渡态理论和AM 1方法，对8-二甲基- 7-甲氧基- 5 -烯-壬腈氧化物分子内环加成反应机理进行了研究。
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