1) topological-quantum descriptor
拓扑-量子参数
2) topological quantum number
拓扑量子数
3) topological parameter
拓扑参数
1.
Relationship between anticancer activities of 10-OAc-paclitaxel analogues and topological parameters
10-OAc抗癌活性与拓扑参数的相关性
2.
New topological parameter for recognition of essential node in protein networks
一种新的拓扑参数及其蛋白质网络关键节点识别
3.
Hydrogen bonds (HB) could be characterized by five topological parameters: charge density in HB, its Laplacian, atomic populations and atomic volumes as well as atomic energies of hydrogen atom in HB evaluated by AIM (atoms in molecules).
采用从头算MP2方法在 6 311++G 基组水平上讨论了CP梯度校正对两种羟基二酰亚胺异构体所组成的二聚体的相互作用能和几何结构的影响 ,并利用分子中的原子理论 (Atomsinmolecules ,AIM)计算了五个拓扑参数 :键临界点的电荷密度、电荷密度的Laplacian值、氢键中氢原子的体积、氢原子集居数、氢原子能量来表征氢键的形成 。
4) topological parameters
拓扑参数
1.
The topological parameters of these three networks(bipartite graph model of transit.
以北京市公交系统为例,用二分图模型对其进行描述,分别构建出公交站点网络和公交线路网络,对二分图、公交站点网络和公交线路网络进行了度的分布、集聚系数以及平均路径长度等拓扑参数的计算,并与规则网络和随机网络进行了比较,发现北京市公交系统具有"小世界"网络的性质。
2.
It analyzed urban public transportation system by introducing some basic and important topological parameters which were used in network analysis;calculated and analyzed these t.
从研究城市公交系统的网络宏观拓扑性质出发,将城市公共交通系统划分为公交站点网络和公交线路网络,通过引入网络分析中一些常见的重要拓扑参数来对城市公共交通系统进行分析,以北京市公交系统为例,计算并分析了这两种网络的拓扑参数,并从交通工程的角度对这些拓扑参数的具体意义进行了研究,最后从交通工程和城市规划的角度为城市公交系统的建设提出了一些建议。
5) topology parameter
拓扑参数
1.
Merrifield-Simmons index is an important topology parameter in chemical graph theory study and some useful results are obtained in this paper by studying the relevant graph\'s Merrifield-Simmons index property.
Merrifield-Simmons指标是研究化学图论的重要拓扑参数,文中研究了有关图的Merrifield-Simmons指标,得到一些基本性质。
6) quantum topological index
量子拓扑指数
1.
A novel quantum 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 electron quantum 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 molecular quantum 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。
补充资料：单量子阱(见量子阱)
单量子阱(见量子阱)
single quantum well
单且子阱sillgle quantum well见量子阱。
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