查询词典 binding energy

The density function theory B3LYP method with LANL2DZ basic sets is adopted to opt all possible geometrical structures of Tin (n=2~7) and to get the most stable structure. Then, the binding energy and Natural bond orbital of Ti clusters are calculated and discussed.

利用密度泛函理论中的B3LYP方法，选择LANL2DZ基组优化Tin(2~7)团簇得到各团簇的稳定结构，然后对稳定结构的束缚能及自然轨道进行分析。

Standards for energy use were up to 30% stricter than legally binding standards in France at the time the building permit was delivered.

能源使用的标准是高达30 ％以上的具有法律约束力的严格标准，在法国的时候，建筑许可证交付。

The nature and strength of the cation-π interactions between and toluene, p -cresol, or Me-indole were studied in terms of the topological properties of molecular charge density and binding energy decomposition.

本文通过电荷密度的拓扑性质和结合能的能量分解两个方面研究了NH4+与甲苯、对甲基苯酚以及甲基吲哚间阳离子-π相互作用的大小及其作用本质。

The apparent binding constant and the free energy changes were obtained by analysis of fluorescence data of the cyanine dye in the absence and presence of HSA and BSA.

分析噻菁染料的荧光强度随溶液中血清蛋白浓度的变化得到了二者反应的表观结合常数和自由能变化。

The deuteron, with the size being 1. 96fm and the binding energy being 2. 25MeV, is a highly extended object. In order to reproduce the deuteron properties well, a long-range tail should be introduced phenomenologically.

氟核的方均根半经~1.96fm、束缚能B=2.25MeV，是个结合得很松散的束缚态，要定量的解释氘核必须唯象引进核力中的长程部分，而长程部分主要由π交换提供。

Crystal Structure; Reciprocal Lattice; Crystal Binding; Phonon; Free Elecron Fermi Gas; Energy Bands; Semiconductor Crystals; Superconductivity; Dielectrics and Ferroelectrics; Diamagnetism and Paramagnetism; Ferromagnetism and Antifierromagnetism; Magnetic Resonance.

晶体结构、反商晶格、晶体链结、声子、自由电子费密气、能带、半导体晶体、超导体、介电材料与铁电材料、抗磁与顺磁、铁磁与反铁磁、磁与共振。

The structures and stabilities of the ground-states for Cu13-nAgn clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1～10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers.

在混合团簇基态结构优化的遗传算法方案中增加了交换算子，结合Gupta紧束缚模型势研究了Cu13-nAgn团簇的最低能量结构，选择合适的交换和杂交概率，可有效地提高优化效率，优化结果表明，Cu13和Ag13是全对称的二十面体，n=1～10的混合团簇能形成稳定结构，其构型是在二十面体基础上发生畸变，Cu原子趋于处在团簇中心，随着Ag原子数目的增加，原子间的平均距离单调增加，团簇的结合能单调减小，Cu2Ag12和CuAg12只存在亚稳结构。

The increasing sequence of trap binding energy is asfollows: Si, Co, Ni, Mn, Cr, Mo.

按陷阱结合能由小到大的顺序是：Si，Co，Ni，Mn，Cr和Mo。

The atomic average binding energy and balance interatomic distance of iron clusters (for austenite,ferrite and martensite) were calculated by the interatomic pair potential.

并尝试用原子间相互作用对势研究铁团簇（奥氏体、铁素体和马氏体）的原子平均结合能和最近平衡原子间距。

In the Al/LiF/Alq〓 system, the binding energy of Lils peak shifts 0.25eV relative to the Fls peak during the reaction.

和MgF〓一样，LiF也经常被用来加在有机发光器件的电极与有机发光层之间以改善器件的性能。

You can snipe the second and third union leaders from this position.

您可以鹬第二和第三工会领袖从这一立场出发。

Aiming at the currently shortage of XML streams quality detecting, this paper proposes a new forecasting method of XML streams quality by least squares support vector machines, which is used the method of XML keys' vector matrix as windows, and vector product wavelet transform to multilevel decompose and refactor the XML streams series, that can fulfill real-time checking demand of XML quality, and ensure constraint, consist- ency and integrality. For even more adapting net load, it proposes a control strategy by weight and adaptive adjustment to ensure XML streams quality.

针对当前XML数据流质量检测存在的不足，提出构建XML键的矢量矩阵作为窗口，利用矢量积小波变换多级分解与重构XML数据流，再结合最小二乘支持向量机对XML数据流质量进行预测的一种方法，满足XML数据流质量重构时实时检测的要求，保证XML数据的约束性、一致性与完整性；为了更好的适应网络负载，采取加权与自适应窗口调整等调度策略充分保证XML数据流的质量检测。