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交替烃拓扑结构计数的研究
引用本文:余荣泮,杨良准.交替烃拓扑结构计数的研究[J].化学研究与应用,1994,6(2):69-74.
作者姓名:余荣泮  杨良准
作者单位:武汉大学化学系,湖北襄阳师专化学系,山东泰安师专,四川达县师专化学系
摘    要:交替烃拓扑结构计数的研究余荣泮,杨良准,刘训亭,胡启山,张自先,莫宇翔,陈琼,王成瑞(武汉大学化学系武汉430072)关键词拓扑结构计数,交替烃,分子轨道分子稳定性的研究是理论化学中一个重要课题,关于这方面的工作,共振论是富有成效的理论之一。在偶苯型...

关 键 词:拓扑结构计数  交替烃  分子轨道  

STUDY OF TOPOLOGIC STRUCTURAL COUNT FOR ALTERNATIVE HYDROCARBONES
Yu Rongpan, Yang Liangzhu, Liu Xunting, Hu Qishan Zhang zixian, Mo Yuxiang, Chen Qiongand,Wang Chengrui.STUDY OF TOPOLOGIC STRUCTURAL COUNT FOR ALTERNATIVE HYDROCARBONES[J].Chemical Research and Application,1994,6(2):69-74.
Authors:Yu Rongpan  Yang Liangzhu  Liu Xunting  Hu Qishan Zhang zixian  Mo Yuxiang  Chen Qiongand  Wang Chengrui
Abstract:The Topologlc Structural Count(TSC)was an in important structural parameter to justify the sta-bility of alternative hydrocarbones.A more rbonable TSC definition and a new method for calculating the TSC of odd and even alternative hydrocarbones were presented in this paper.The TSC values and delocalized energy of 21 moleeules were calculated using the program which was written by ourselves. The three values(No.28,19 and 20 molecules)were agree with the literatuer and othershad not at all been reported in the literature, and the discussion about the relation of TSC values, delocalized energy and molecular stability was given.
Keywords:Topologic Structural Count  Alternadve Hydrocarbnes  Molecular Orbital
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