The electronic structures of the aromatic compounds with the elements of group ⅴ A or ⅵ A and the relation between P π-conjugation and their molecular geometries were described. The calculation of P π-conjugation energy was also represented in this paper.
本文对含第Ⅴ或Ⅵ主族元素的芳香化合物的电子结构,Pπ共轭与分子几何结构的关系以及Pπ共轭能的计算作一综述。
The binding constants KLB and distances r of these compounds and BSA were calculated respectively, according to Lineweaver-Burk equation and energy transfer theory. And every type of conjugation effort was estimated by the calculation of thermodynamic parameters.
以Lineweaver-Burk双倒数方程和能量传递原理分别计算了三者与BSA反应的结合常数(KLB)和结合距离(r)以及由热力学参数的计算判断了三种小分子物质与BSA结合的作用力类型;
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