休克尔方法
休克尔方法
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应用推广休克尔方法研究环化GMP和环化UMP的构象,以及环化GMP的电子结构。
The extended H ü ckel method was used to study the best conformation of cyclic GMP and cyclic UMP and the electronic structure of cyclic GMP .
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分析6种判断化合物是否具有芳香性的规则即Dewar共振能、休克尔规则、汉斯的REPE指标、PMO判据、推广的休克尔规则及物理方法,并对各种判据的局限性和优点作了比较。
Six major criteria of aromaticity , namely Dewar resonance energy , Huckel rule and Hess 's REPE index , PMO criterion , extended Huckel , rule and physical method , were introduced . The limitations and advantages of them were discussed in this paper .