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拓扑指数mQ及其对无机物理化性质的预测
引用本文:徐士友.拓扑指数mQ及其对无机物理化性质的预测[J].哈尔滨理工大学学报,2004,9(3):78-81.
作者姓名:徐士友
作者单位:巢湖学院化学系,安徽,巢湖,238000
基金项目:安徽省教育厅自然科学研究资助项目(2003kj277)
摘    要:构造了价电子平均吸引能拓扑指数^mQ,用其0、1阶指数^0Q、^1Q与无机氢化物的pKa1值、碱金属卤化物的晶格能U、熔点mp、磁化率Xm和键长Bd的关联,拟合回归方程的相关系指数分别为0.9941(0.9955)、0.9970(0.9974)、0.9444、-0.9876、-0.9957,满足优级或良级标准.预测取得了较好的结果.

关 键 词:价电子平均吸引能  拓扑指数  无机氢化物  晶格能
文章编号:1007-2683(2004)03-0078-04
修稿时间:2003年5月19日

Topologicalindex mQ and its Calculation of Physico-chemical Properties of in Inorganic Compounds
XU Shi-you.Topologicalindex mQ and its Calculation of Physico-chemical Properties of in Inorganic Compounds[J].Journal of Harbin University of Science and Technology,2004,9(3):78-81.
Authors:XU Shi-you
Abstract:In this paper the author proposed the topological indexes mQ by introducing average at tractive energy of valence electron. Using their zero and first -order index, some regression equations were set up by the author of pKa, of inorganic hydrides, and of lattice energy, melting point, magnetic susceptibility, bond length of alkali halides. Their related coefficient(index) is 0.9941(0.9955), 0.9970(0.9974), 0.9444, -0.9876 and -0.9957. respectively, meeting the good and excellent standards. Hence our calculation obtained better results.
Keywords:average attracting energy of valence electron  topological index  inorganic hydrides  lattice energy
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