量子拓扑指数,quantum topological index
1)quantum topological index量子拓扑指数
1.A novelquantum topological index QTI is proposed based on adjacency matrix by introducing quantum numbers and topological chemical principle on the basis of valence shell electron structure character and interaction among electrons in this paper.在基态原子价壳层电子隐核图的基础上,基于拓扑化学原理以及原子价壳层电子量子结构特征,构建了原子价壳层电子量子拓扑指数QTI,它对基态原子实现唯一性表征,具有优良的结构选择性。
2.A novel atom valence shell electronquantum topological index AEI based on topological chemical principle and atom valence shell electron structure character with the help of hidden core graph of ground state atom valence shell electron was proposed in this paper, which appears uniquely to the ground state atom and has excellent structural selectivity.在基态原子价壳层电子隐核图的基础上,基于拓扑化学原理以及原子价壳层电子结构特征,构建了原子价壳层电子量子拓扑指数(AEI),它对基态原子实现唯一性表征,结合原子价壳层电子平均化能(∑niEi/∑ni)等参数,建立了一套新的元素电负性标度:XN=-0。
3.In order to depict the quantum topological change rules of mercaptans,a new molecularquantum topological index QT was constructed by the method which is to introduce some calculated results of quantum chemistry into the structure of molecules together with Gibbs free energy(G),Constant volume mole hot melting(CV) calculated by density functional theory(DFT).将量子化学计算的部分结果引入分子的拓扑结构中,构建新型分子量子拓扑指数(QT),与计算所得的量化参数Gibbs自由能(G)、恒容摩尔热容(CV)一起描述硫醇的量子拓扑规律。
英文短句/例句
1.The correlationship between electronic structures of polyoxometalates based onDFT-DVM and antitumor activities of polyoxometalates could be expressedcorrectly by WQTI.利用加权量子拓扑指数建立了抗肿瘤多酸的电子结构及其抗肿瘤活性之间的构效关系；
2.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
3.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
4.Studies on the Relationship between Refractive indexes of Alkyl Naphthalenes and Their Molecular Structures by Using Molecular Topology;烷基萘的折光指数与其分子结构之间定量关系的拓扑化学研究
5.Study on Structures and Properties of Fatty Alcohols with Quantum-chemical Descriptors and Topological Index基于量化参数和拓扑指数的脂肪醇沸点QSPR研究
6.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
7.A molecular topological research on thegas chromatographic retention index of alcohol isomer醇类异构体气相色谱保留指数的分子拓扑研究
8.Topological Index of Alcoholic Structure and Prediction of Chromatography Retention Index醇拓扑指数对其色谱保留指数的预测
9.CIS /TRANS ISOMERIC BONDING PARAMETER TOPOLOGICAL INDEX AND THEIR APPLICATION IN CORRELTION WITH THE PROPERTIES OF CIS /TRANS ISOMERS顺反异构键参数拓扑指数及其在相关顺反异构分子性质中的应用
10.A novel topological index called Y-index was developed based simultaneously on the bond distance and bond adjacent matrices for a molecular.基于分子的键距矩阵和键联矩阵提出一种新的分子拓扑指数Y.
11.Quantitive Relationship of a New Connectivity Topological Index and Toxicity for Halogenated Benzene;一种新的连接性拓扑指数与卤代苯毒性的定量关系
12.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
13.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
14.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
15.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
16.The topological index of orbit average energy ~mM and its application;轨道平均能拓扑指数~mM及其应用
17.Topoloical index X for the QSPR study of alphatic alcohols拓扑指数X用于脂肪醇的QSPR研究
18.A New Topological Index X for the QSAR Studies of Olefins一种新拓扑指数X用于烯烃的QSAR研究
相关短句/例句
topological-quantum descriptors拓扑-量子指数
3)principal quantum number topological index主量子数拓扑指数
4)topological index of effective principal quantum number有效主量子数拓扑指数
1.This paper presents thetopological index of effective principal quantum number(n*) of AjBk molecules,represented by P defined as P=(n*An*B)-0.作者定义ＡｊＢｋ分子的有效主量子数拓扑指数（Ｐ）为：Ｐ＝∑（ｎＡ·ｎＢ）－０。
5)topological quantum number拓扑量子数
6)molecular topological index分子拓扑指数
1.Themolecular topological index and predicting of creaturely activity of halogenated phenols;分子拓扑指数与对卤代苯酚生物活性的预测
2.On the elemental electronegative,bonded electron number and p electron number of atons,one newmolecular topological index(~5X) is developed for research on the Pka values of substiuted benzene carbonic acid and themolecular topological index(~5X) are obtained,i.基于元素的A llen电负性,原子成σ键的电子数,原子直接键连的氢原子数目和原子形成离域键时所提供的Pz电子数,建立了一种分子拓扑指数(5X)。
3.Based on the introduction of quantum numbers and bonding parameters,a novelmolecular topological index ~(m)A~(Y)was suggested.通过引入量子数、键参数,认为分子的性质与其中各原子的电负性、价电子数、成键电子数、价层主量子数及各化学键的键长有关,提出了一种新的分子拓扑指数mAY。
延伸阅读
迁移效率指数、偏好指数和差别指数迁移效率指数、偏好指数和差别指数迁移效率指数、偏好指数和差别指数迁移效率指数是用于测定两地间人口迁移效率的指标。它是净迁移对总迁移之比。计算公式为:EIM一摇寿纂拼又‘。。上式中，}人么夕一材方}为i、]两地净迁移人数;从少+材户为i、]两地总迁移人数;El入了为迁移效率指数。EIM的取值范围为。至100，如某一地区的值越大，反映迁移的的影响也越大。如果计算i地区与其他一切地区之间的人口迁移效率指数EIM厂，则:}艺材。一芝Mj、}EIM汀艺。+乏M，(j笋i)迁移偏好指数是从一个地区向另一地区的实际迁移人数与期望迁移人数之比。计算公式为:____M.___材尸2行一:一二子一一不石一二，么M“ 了厂‘.厂‘、八 }二不十二六二1、厂厂7上式中，M“为从i地迁到j地的实际迁移量;艺材。为总的人口迁移量;尸为总人口;M尸I，j为迁移偏好指数。通过计算迁移偏好指数，可以反映各地区的相对引力。迁移差别指数是反映具有某种特征的迁移人口与非迁移人口区别的指数。例如，专业技术人员的人数所占比重，各种文化程度人数所占比重等，以便研究人才流失和其他间题。计算公式为:M‘从IMD、一翌不丝xl。。 .义V‘ N上式中，M为迁移人数;M，为具有i特征的迁移人数;N为非迁移人数;N‘为具有i特征的非迁移人数;了八了D、为迁移差别指数。
