电性拓扑态指数,E-state indices
1)E-state indices电性拓扑态指数
1.Multiple linear regression(MLR) has been carried out to find relationships between atomic typeE-state indices and retention indices,linear correlation coefficients R range from 0.以4种原子类型电性拓扑态指数(E-state indices)为参数,对64种烷基硫醚在4种不同极性固定相上的气相色谱保留指数分别进行了定量结构-色谱保留相关(QSRR)研究采用多元线性回归(MLR)方法建立模型,线性相关系数R在0。
2)electrotopological state indices电性拓扑状态指数
1.Prediction of auto-ignition temperatures of alkanes byelectrotopological state indices应用电性拓扑状态指数预测烷烃自燃点
2.Both Xu index based atom-type AI indices andelectrotopological state indices were used to describe the structures of 80 liquid hydrocarbon molecules,and quantitative structure-property relationship(QSPR) models were developed to predict the heat of combustion of those 80 liquid hydrocarbon by using the artificial neural network and the multilinear regression approach,respectively.分别以基于Xu指数的原子类型AI指数和电性拓扑状态指数作为分子结构描述符表征80个液态烃的分子结构特征,并分别结合人工神经网络和多元线性回归方法,对这80个液态烃的燃烧热进行定量结构-性质相关性建模和预测研究。
英文短句/例句
1.Prediction of auto-ignition temperatures of alkanes by electrotopological state indices应用电性拓扑状态指数预测烷烃自燃点
2.Prediction of Antitumor Activities of Indolo[1,2-b]Quinazoline Derivatives Using Electrotopological State Indices for Atom Types原子类型电拓扑状态指数预测吲哚喹唑啉衍生物的抗癌性
3.Electrotopological State Indices for Atom Type and Its Application to QSAR Study原子类型电拓扑状态指数及其在QSAR中的应用研究
4.Observability Analysis of Distribution System Based on Topological Arithmetic基于拓扑法的配电网状态估计可观性研究
5.Analysis of Connection between Electric Power Network Composition and Capability Performance Based on Topology Index;基于拓扑指数的电网结构与其性能关系的分析
6.Research on Correlation between Topological Index ~mP and Valence Electron Orbit Energy;拓扑指数~mP在价电子轨道能量中的相关性研究
7.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
8.Construct Network Topology Based on OSPF Database基于OSPF链路状态数据库构建网络拓扑
9.Topology Error Identification in Power System State Estimation;电力系统状态估计中的拓扑错误辨识
10.A Topological Index of Extranuclear Electron of Lanthanide Atoms镧系元素的核外电子拓扑指数及应用
11.The effect of electronegativity and valence electron orbit energy topological index on superconductive critical transition temperature of doping MgB_2 system电负性/价电子轨道能拓扑指数与MgB_2体系转变温度的关系
12.THE RELATIVITY BETWEEN TOPOLOGICAL INDEX mG AND PROPERTIES OF INORGANIC COMPOUNDS;拓扑指数~mG与无机物性质的相关性
13.The Study on Network Topology and State Estimation Based on PMU;电力系统网络拓扑及基于PMU状态估计算法研究
14.New Topological Index of Bond Parameter Applied to the Correlate Study of the Properties of Hydrogen Acid;用于氢酸强度性质研究的新的键参数拓扑指数
15.Correlation between Topological Indexes and lgS of β-Carotene拓扑指数与β-胡萝卜素溶解性能的相关性
16.Relationship between topological index ~mG and properties of alkali halides拓扑指数~mG与碱金属卤化物性质的相关性
17.Research on the Quantitative Structure-Property Relationships (QSPR) to the Organic Chemicals Using Topological Index T;用拓扑指数T研究有机化合物定量构性关系
18.A New TopologicaI Index Used for Thermodynamical Functions of Alkens;用于预测烯烃热力学性质的一种新拓扑指数
相关短句/例句
electrotopological state indices电性拓扑状态指数
1.Prediction of auto-ignition temperatures of alkanes byelectrotopological state indices应用电性拓扑状态指数预测烷烃自燃点
2.Both Xu index based atom-type AI indices andelectrotopological state indices were used to describe the structures of 80 liquid hydrocarbon molecules,and quantitative structure-property relationship(QSPR) models were developed to predict the heat of combustion of those 80 liquid hydrocarbon by using the artificial neural network and the multilinear regression approach,respectively.分别以基于Xu指数的原子类型AI指数和电性拓扑状态指数作为分子结构描述符表征80个液态烃的分子结构特征,并分别结合人工神经网络和多元线性回归方法,对这80个液态烃的燃烧热进行定量结构-性质相关性建模和预测研究。
3)electro-topological state index电性状态拓扑指数
4)electrotopological state index电性拓扑状态指数
1.With 0J, 1J andelectrotopological state index (En), quantitative structure-retention relationships (QSRR) between structure and retention time of 51 volatile components of natural hawthorn perfume were studied.根据分子中成键原子的结构特征及和其他原子的连接状况,提出新的原子点价δi,并在邻接矩阵的基础上构建新的连接性指数mJ,用其中的0J、1J和电性拓扑状态指数对天然山楂挥发性油的51种组分气相色谱保留时间(tR)进行构效定量关系的相关研究,建立最佳的相关性模型,通过模型得到的估算值和计算值基本吻合,并用Jackknife法和交互检验证明该模型具有良好的稳健性和预测能力。
5)Electrotopological state indices电拓扑状态指数
1.In this paper,Hall"s electrotopological state indices(En) and Kier"s valence molecular connectivity indices(mxv) are calculated for 38 monocarboxylic acids.对38种有机一元羧酸的电拓扑状态指数(En)及价分子连接性指数(mxv)进行了计算,建立了有机羧酸pKa与拓扑指数的数学模型。
6)electrotopological state index电拓扑状态指数
1.Theelectrotopological state index(ETSI) was employed to characterize the structures of 42 nitrobenzene compounds.以电拓扑状态指数表征硝基苯类化合物的分子结构,计算了42个硝基苯类化合物中所含41种原子类型的电拓扑指数。
延伸阅读
态-态反应性散射截面分子式：CAS号：性质：设有一态-态反应A+BC(υ，j)=AB(υ′,j′)+C，其中υ、υ′、j、j′分别为反应物和产物的振动量子数和转动量子数。根据微分反应截面σr的定义，则σr(υ、j︱υ′、j′)应为单位时间单位立体角中散射的具有υ′、j′能态的分子数占散射截面的分率。态-态反应性散射截面即其积分态-态反应截面Sr(n´∣n，g)=(n´∣n，g，θ) dΩ，n表示内部量子态，Z为相对速率。
