您要查找的是不是：
- In this paper, the topological index mG of average attracting energy of valence electron was proposed. 构建了价电子平均吸引能拓扑指数mG。
- Qin ZL.The topological index of effect principle quantum number and its applications.Computers and Applied Chemistr,2003,20(6):802. 秦正龙.;有效主量子数拓扑指数及其应用
- A new topological index F1 was defined in this paper. The F1 of ABn molecules were calculated. 本文定义了一个新的拓扑指数F_1;并用F_1研究了AB_n型分子的标准生成焓、晶格焓、反应截面等性质.
- More and more attention is paid to study on the relation between the chemical substance structure and properties with the method of topological index. 应用拓扑指数的方法来研究化学物质的结构与性能之间的关系越来越受到人们的关注。
- The principle and calculating method of autocorrelation topological index is introduced in brief and a prediction approach for octane number of acyclic alkanes is proposed. 简要介绍了一种自相关拓扑指数的基本原理及计算方法,提出了预测烷烃辛烷值的方法。
- On the basis of the principle, the OET (orbital-energy topological index) was proposed by revising the valence electron distance matrix with the orbital energy. 根据该原理,利用价电子轨道能量对价电子距离矩阵进行修正。
- Use multivariate linear regression (MLR) analysis of the element bonding parameter topological index of the lanthanides and physical and chemical properties to obtains better linear relativity. 通过对镧系元素的键参数拓扑指数与物理化学性质的多元线性回归(MLR)分析,得到了良好的线性相关性。
- Bonding parameter topological index H(subscript LA) has excellent structural selectivity.The topological index H(subscript LA) is correlated with physicochemistry properties of Lanthanides. H(下标LA)具有优良的结构选择性，用H(下标LA)拓扑指数与镧系元素理化性质进行关联；
- In these circumstances it is needed to save coordinates of vertexes.If the topological structure of the mesh is altered, the corresponding topological index information also needs to be saved. 在这种情况下，需要保存随时间变化顶点坐标，如果网格拓扑结构也发生了变化，还需要保存相应的拓扑索引信息。
- Using the topological indexes, the separation factors of fullerenes in bonded phases are predicated. 运用拓扑指数，预测了键合相中富烯勒的分离因子。
- chemical bonding parameter topological index 键参数拓扑指数
- principal quantum number topological index 主量子数拓扑指数
- autocorrelation topological index 自相关拓扑指数
- topological index of molecular connection 分子连接性指数
- element bonding parameter topological index 元素键参数拓扑指数
- adjacency hydrogen topological index 邻接氢拓扑指数
- Bonding parameter topological index 分子键参数拓扑指数
- Eleetrouegativity topological index 电负性拓扑指数
- The quantum parameters of artemisinin derivatives were calculated at B3LYP/6-31G* level using Gaussian03 , the spatial and topological indices were calculated using Cerius~2 at SGI workstation. 通过多种途径获得青蒿素类药物的结构参数，其中电子结构参数采用高斯软件在B3LYP/6-31G~*水平获得，立体参数和拓扑指数采用Cerius2在SGI工作站获得。
- Parameters obtained from topological indices and quntitative calculation regress with the biodegradation rate constants;hence,the established binary mathematical model has good correlation,robustness and reproducibility. 利用拓扑指数和量化计算得到的参数共同与取代苯甲酸的生物降解速率常数回归;建立的二元数学模型具有很好的相关性.;并且;该模型表现了很好的稳键性和可重复性
