本文阐述了价电子对互斥理论的基本要点和判断分子空间构型的规则；
This paper analyses the basic formula of valence-shell electronic repulsion theory and discuses the laws of the geometry configuration of molecule.
并举例说明了杂化轨道理论在解释分子空间构型和物质化学性质的变化上的应用。
This text illustrates the application of hybrid orbital theory in the field of explaining the steric configuration of molecule and the change of chemical property.
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。
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.
然后以此空间构型为基础，用“团簇埋入自洽计算法”计算氨基酸在以水分子为外势条件下的电子结构。
Then, based on the structure, the electronic structure of amino acid with the potential of water molecules is calculated using the self-consistent cluster-embedding (SCCE) method.
然后以此空间构型为基础，用“团簇埋入自洽计算法”计算氨基酸在以水分子为外势条件下的电子结构。
Then, based on the structure, the electronic structure of amino acid with the potential of water molecules is calculated using the self-consistent cluster-embedding (SCCE) method.
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