1) topological electronegativity I t
拓扑电负性It
2) topological local electronegativity
拓扑表观电负性
3) topological electro-negativity indices
拓扑电负性指数
1.
Modeling flash point scale of hydrocarbon by novel topological electro-negativity indices
新型拓扑电负性指数模拟烃类物质闪点的标度
4) topological adjacent electronegative index
拓扑邻接电负性指数
1.
The adjacent matrix and row matrix were combined to build a new index-topological adjacent electronegative index (TAEI).
结合行矩阵和邻接矩阵,计算得到一个新的指数??拓扑邻接电负性指数(TAEI)。
5) topological distance electronegative index
拓扑距离电负性指数
1.
This text took the proportional electronegative of the piece of PCDEs to build a row matrix,and combined the molecular distance matrix with row matrix to build a new index——topological distance electronegative index.
以类原子的形式处理多氯联苯醚苯环上的基团(CH和CCl),构建分子的距离矩阵,以分子基团的均衡电负性对原子进行着色建立行矩阵,结合分子的距离矩阵和行矩阵,同时考查分子的相互间的作用情况,建立分子的结构参数——拓扑距离电负性指数。
6) electrotopological state
电性拓扑态
1.
Using partial least-squares (PLS) regression and electrotopological state indices (ESI), two quan- titative structure-property relationship models on photolysis half-lives (t1/2) of polychlorinated dibenzofurans (PCDFs) on spruce (Picea abies) needles and fly ash surfaces were developed.
以电性拓扑态指数(E-state indices)为参数,应用偏最小二乘法(PLS)对48种多氯代二苯并呋喃(PCDFs)在云杉(Picea abies)针叶和飞灰表面的光解半衰期(t1/2)进行模拟分析,分别获得5变量和4变量定量结构-性质相关(QSPR)模型。
2.
Using 10 kinds of phenysulfonyl carboxylate compounds as object, the solubilization effect of these compounds by β-cyclodextrin (β-CD) was determined; and the simulation analysis was made applying Kow and electrotopological state index and the QSPR model was established.
以10种苯砜基乙酸酯化合物为对象,测定了β?环糊精(β?CD)对该类化合物的增溶作用效应;并应用Kow和电性拓扑态指数对包合物稳定常数(Ks)进行了模拟分析,构建了QSPR模型。
3.
By use of partial least-squares (PLS) regression and the electrotopological state indices for atom and functional group in the molecule, two quantitative structure-property relationship models of the photolysis half-life(t1/2) of PCDFs adsorbed to spruce(Picea abies (L.
采用电性拓扑态指数(electrotopological state(E-state)indiccs),应用偏最小二乘(PLS) 法,对42种PCDFs在云杉(Plicea abies(L。
补充资料：电负性取代基
分子式：
CAS号：
性质：指电负性强的取代基，如—F，—Cl，—Br，—CN，—NO2等基团。
CAS号：
性质：指电负性强的取代基，如—F，—Cl，—Br，—CN，—NO2等基团。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条