查询词典 cycloalkane

Any of several cycloalkane hydrocarbons having the general formula CnH2n and found in various petroleums.

环烷烃分子式为cnh2n的一系列饱和环烷烃，存在于各种石油中

On the basis of molecular topological diagram's adjacency matric, an edge branch index of cycloalkane has been developed.

将Randic的碳原子支化度修正为边支化度，并在分子拓扑图的邻接矩阵基础上构建环烷烃的边支化度指数。

Using MTLSER model and AM1 Hamiltonian in quantitative structure-activity relationship studies of alkyl (1-phenylsulfonyl) cycloalkane –carboxylates.

取代苯胺和苯酚类化合物对大型蚤的定量结构-活性关系研究。

Based on the characteristics of molecular structure, the adjacent matrix and dyeing matrix were used to characterize the molecular structure of alkane and cycloalkane, a new method——the group contribu-tion method, was developed to calculate the boiling points of alkane and cycloalkanes from molecular struc-ture.

根据分子结构的特点，通过用邻接矩阵和染色矩阵表征分子结构，发展一种根据分子结构信息计算烷烃和环烷烃沸点的新方法——基团贡献法。

At high DS of octanolylated KGM, dodecanolylated KGM, PKGM and octadecenoylated KGM the intercrystalline distances are 2.10, 2.45,2.58 and 3.39nm,respectively,and the effect of DS of KGME on its emulsifying ability has been investigated in aromatic hydrocarbon in water and cycloalkane in water emulsions.

本文用化学方法制备的葡甘聚糖酯从结构上看具有表面活性剂的亲水亲油及聚合物两方面的特性，实验证明，在合适的取代度范围，当葡甘聚糖酯浓度在0.1%～0.01%时，其有较强的乳化力。

Work in this paper focuses on the data mining from chromatographic retention index data. A retention index database that contains about 50000 records of retention index is firstly established. Projection pursuit technique is then utilized to do data mining upon the data in order to find out some valuable information about the relationship between the retention indices and structural descriptors. A novel algorithm for projection pursuit is developed in this work. Samples of alkane, alkene and cycloalkane are investigated.

中文题名化学数据挖掘新算法和定量构性关系基础研究副题名外文题名 New methodology in chemical data mining and foundational research on QSPR 论文作者杜一平导师梁逸曾学科专业分析化学研究领域\研究方向化学计量学学位级别博士学位授予单位湖南大学学位授予日期2002 论文页码总数115页关键词定量构性关系化学计量学数据挖掘馆藏号BSLW /2003 /O6 /2 化学数据挖掘正逐渐引起化学家们的关注。

In the present study, Hartree-Fock and Density Functional Theory with different basis sets were employed to calculate the structural and thermodynamic parameters of 66 thiophenyl, phenyl sulfoxide and phenylsulfonyl cycloalkane carboxylates. With the statistic software SPSS11.5 for windows and GQSARF2.0, the QSAR models relating physicochemical properties of these compounds to their structural and thermodynamic parameters were successfully obtained, using multiple stepwise regression method. The physicochemical properties observed in this work include octanol/water partition coefficient, chromatographic capacity index, toxicity (EC50 and LC50), and solubility etc.

本文采用从头算方法中的Hartree-Fock 方法、密度泛函理论方法(Density functional theory，简称DFT)中的不同基组，计算了苯硫基、苯亚砜基和苯砜基含硫芳香羧酸酯三类共66 个化合物的结构参数和热力学参数，利用SPSS11.5 for windows 统计软件和GQSARF2.0 软件，采用多元逐步回归法拟合得到与溶质-溶剂相互作用有关的物理化学性质与结构参数和热力学参数之间的QSAR 方程，这些物理化学性质包括辛醇/水分配系数、色谱容量因子、毒性(EC50和LC50)、溶解度等。

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸，那乌黑、忧郁的眼睛，她便会相信，他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失