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共振论的应用及量子化学探讨
引用本文:张红梅,陈国力,刘梅,廖显威.共振论的应用及量子化学探讨[J].化学教育,2008,29(5):2-4.
作者姓名:张红梅  陈国力  刘梅  廖显威
作者单位:四川师范大学化学与材料科学学院, 成都 610068
摘    要:共振论自20世纪30年代鲍林(Pauling L)提出以来,其在有机化学中有着较为广泛的应用。本文简述了共振论的产生及有关的基础知识,其中用共振论观点解释了一些用经典结构理论所不能说明的有机化合物的性质,并且用Gaussian98程序对其进行了量子化学探讨。

关 键 词:共振论  共振杂化体  量子化学  

Application of Resonance Theory and Quantum Chemistry Discussion
ZHANG Hongmei,CHEN Guoli,LIU Mei,LIAO Xianwei.Application of Resonance Theory and Quantum Chemistry Discussion[J].Journal of Chemical Education,2008,29(5):2-4.
Authors:ZHANG Hongmei  CHEN Guoli  LIU Mei  LIAO Xianwei
Institution:College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610068
Abstract:Resonance theory has been applied in organic chemistry widely since it was proposed by L. Pauling in 1930s. This paper introduces the evolvement of resonance theory and relevant basic knowledge, and explains some properties of organic compound which can not be explained by classic structure theory but with the view of resonance theory, and discusses them from quantum chemistry perspective with Gaussian98 program.
Keywords:resonance theory  resonance hybridization system  quantum chemistry
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