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一个新的拓扑指数F2及其对ABn型分子键能的研究
A Newly Proposed Topological Index F 2 and Its Application in Correlation with Bond Energy of AB n Molecules
【摘要】 建议了一种新的拓扑指数F2,并用F2研究了ABn(n=2,3,4,5)型分子的平均键能。研究表明,F2与ABn型分子的平均键能呈良发的线性关系,并得出了AB3、AB4、AB5、型分子键长与平均键能关系的数学表达式
【Abstract】 This paper proposed a new topological index F 2.TheF 2 of AB n molecules were calculated.The linear least squar regressian shows that correletion ship between F 2 and the average bond energies of the molecules is excellent.Three formulae which calculated the bond energies from the bond lengths of AB 3,AB 4,AB 5molecules were obtained,respectively.
【关键词】 拓扑指数;
AB_n型分子;
平均键能;
【Key words】 Topological index AB n index AB n molecules Average bond energyy;
【Key words】 Topological index AB n index AB n molecules Average bond energyy;
【基金】 国家自然科学基金
- 【文献出处】 化学物理学报 ,CHINESE JOURNAL OF CHEMICAL PHYSICS , 编辑部邮箱 ,1997年01期
- 【分类号】O641
- 【被引频次】10
- 【下载频次】33