结构参数F对稀土元素化合物Δ_fH_m^的相关研究

结构参数F对稀土元素化合物Δ f H m  的相关研究 STUDIES ON THE RELATIONSHIP BETWEEN STRUCTURAL PARAMETER F AND Δ fH ○ m OF THE RARE EARTH COMPOUNDS 杨锋 Yang Feng 1 first-author 王利亚 Wang Liya 1 董莲叶 Dong Lianye 1 颜肖慈 Yan Xiaoci 1 欧阳礼 Ouyang Li 1 罗明道 Luo Mingdao 1 屈松生 Qu Songsheng 1 武汉大学化学学院 武汉大学化学学院 College of Chemistry, Wuhan University College of Chemistry, Wuhan University 用代表顶点原子化学特征的矩阵Ｌ、代表顶点原子与键联结关系的矩阵Ｗ、代表相邻原子键连情况的矩阵Ｘ，它们相乘定义结构参数Ｆ，并用Ｆ对９８个稀土元素化合物的标准生成焓拟合，相关系数为０．９５８２． The structural parameter F is defined as the multiplication of three matrices L,W,X .The L is the row matrix which is formed by the number of the valence electron of the atoms and the effective main quantum numbers,the W is a adjacency matrix which represents the adjacent relation of atoms and bonds in every molecule,and the X is the column matrix which is formed by the bonded condition in every molecule. The values of F for 98 rare earth compounds are calcuated.The linear regression is obtained with F and the standard enthalpies of formation for the compounds. 结构参数F 稀土化合物 标准生成焓 相关性 structural parameter F rare earth compounds standard formative enthalpy Correlativity O614.33 国家自然科学基金(61672102) 1998-04-01 2021-04-01 4