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pKa.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.
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.
出处
《哈尔滨理工大学学报》
CAS
2004年第3期78-81,共4页
Journal of Harbin University of Science and Technology
基金
安徽省教育厅自然科学研究资助项目(2003kj277)
关键词
价电子平均吸引能
拓扑指数
无机氢化物
晶格能
average attracting energy of valence electron
topological index
inorganic hydrides
lattice energy
