摘要
构建了拓扑指数mM.用mM的0、1阶指数分别与碱金属卤化物晶格能U、生成热ΔrHm和离子水化能ΔrGθm关联,拟合的回归方程的相关系数(复相关系数)分别为0.9972(0.9975)、0.9808(0.9808)、0.9808(0.9858),满足优级或良级标准。预测取得较好的结果。
In this paper the topological index mM of average energy of valence electron orbit was proposed. Using their 0 and 1 index with lattice energy , enthalpy of formation, hydrated energy of 20 kinds of alkali halides, some regression equations were suggested. Their related coefficient (re-related coefficient) different is 0.9972 (0.9975) ,0.9808 (0.9808) and 0. 9808 (0.9858) . meet the good and excellent standards. Hence the calculation gains better results.
出处
《巢湖学院学报》
2005年第3期96-99,共4页
Journal of Chaohu University
关键词
价电子轨道平均能量
拓扑指数
晶格能
生成热
离子水化能
average energy of valence electron orbit
topological index
lattice energy
enthalpy of formation
ion hydrated energy
