查询词典 bond distance

The theoretical system for describing the structures of organic and drug molecules using 3 types of molecular electronegativity-distance is created based on various atomic types and atomic attributes. These MEDVs include MEDV-4 based on 4 atomic types and relative electronegativity and relative bond length to carbon atom, and molecular holographic distance vector based on 13 atomic types and relative bond length to carbon atom, and MEDV-13 based on 13 atomic types and atomic attributes and the modified electrotopological state index.

通过不同原子类型与原子属性划分方案，创建了3种形式的分子电性距离矢量即以4种原子类型划分方案和以碳原子为标准的相对电负性与相对键长为基础的分子电性距离矢量MEDV-4、以13种原子类型划分方案和相对键长为基础的全息分子距离矢量MHDV、以13种原子类型与43种原子属性划分方案以及修饰的电拓扑状态指数和拓扑距离为基础的分子电性距离矢量MEDV-13等3种矢量描述子表征分子结构的理论体系。

The change of bond distance and bond angle leads to the reduce of the symmetry, and makes the gap to be wider and shallow, and the gap does not change with the incident angle.

此键长键角的不归一特性的增大所带来的对称性降低导致了带隙变宽变浅和不随入射角变化。

Then the experiment of the thickness and deviation dependent shows the continue networks model is more seemlier, in which the amorphous lattice is the same of a single crystal, but its bond distance and bond angle have a little change.

而我们的池厚与分散度关系的实验已说明了厚池中键长键角不归一，当小球标准差为8.4％时，键长键角的变化可以用连续网络的非晶模型来描述，此模型的非晶结构的骨架与单晶相同，但键长键角有小量的无规性。

The relationship between load, bond length and slip was derived. The distance of transverse crack has been taken into account.

推导了实用的荷载、试件长度以及加载端滑移三者间的关系表达式。

When the distance kept increasing beyond 15 mm, the bond strength continued to decrease, and reached the lowest point of 1.11 MPa at the distance of 40 mm.

相距15 mm时板的胶合强度最大（1.71 MPa），距离为40 mm时胶合强度最小（1.11 MPa）。

Particularly in theβsubunit, the rotation of the distal HisE7 (63) imidazole ring about the Cα-Cγ bond and its large distance from the haem plane make a hydrogen bond possible between E7 Nε and the terminal binding oxygen atom, while in human oxyHb this hydrogen bond either does not exist or is only very weak.

这个氢键在人oxyHb分子中要么不存在要么很弱。

Indices~ mP 0 and 1 were fitted, respectively, with the heat of formation,ionic hydration energy, lattice energy ,internuclear distance bond lengthof 20 kinds of alkali halides; with the lattice energy of 20 kinds of alkali-earth metal halides,with the ionic hydration heat of 51 kinds of metals, and with the ionic standard heat of formation of 80 kinds of i.

用mP的0和1阶指数分别与20种碱金属卤化物的生成焓ΔfH m、离子水化能ΔhG m、晶格能U1、气态碱金属卤化物核间距R0，20种碱土金属卤化物的晶格能U2，51种金属离子水合焓ΔhH m关联，拟合的回归方程的相关系数为m和80种离子标准生成焓ΔfH 0.9753(0.9834)、0.9761(0.9816)、0.9964(0.9986)、0.9967(0.9967)、0.9789(0.9890)、0.9901和0.9805，满足优级或良级标准。

The results showed that the atomic near neighbour distance varies linearly with the concentration in the substitution solid solutions with ionic and covalent bond, but varies nonlinearly in those with metallic bond.

本论文的目的是研究替代式固溶体中原子近邻结构的规律性。

The result also indicated that variation in atomic neighbour distance with concentration is about 40 percent and 20 percent, respectively, for ionic bond and covelent bond solid solutions, compared with that expected by the near neighbour vegard's law, while in the metallic bond solid solutions, this exceeds 50 percent, even reaches 80 percent 〓 so.

用虚晶格近似模型来描述固溶体中的原子近邻结构是不恰当的，然而原子近邻距的加权平均却与VCA值一致，这说明固溶体晶胞参数随成分的变化规律是由原子近邻距随成分的变化规律所决定的。

Therefore, the EL spectra of (Znq_2)_4 is wider than that of Znq_2. 4._2 was synthesized. The analysis of molecular spatial structure and the characterization of material performance of_2 and Liq showed that two Liq molecules and two Naq molecules were connected by Na-O-Na bond bridges to form_2. Compared with Liq,_2 exhibits stronger rigidity in planar molecular structure, larger steric hindrance and intermolecular distance, and much smaller molecular polarity, thus resulting in much longer fluorescence lifetime, much higher fluorescence quantum efficiency, wider energy bandgap and better film formability. When used as light-emitting layer in OLED,_2 shows lower formation probability of excited dimmer and exciplex formation than Liq, thus emits bluer light with higher current efficiency than Liq. When_2 ultrathin film is used as electron injection layer in OLED, it exhibits higher current density, higher luminance, lower turn-on voltage and higher current efficiency than Liq ultrathin film for the existence of sodium ions in_2 ultrathin film. 5. The summarization the relationship between molecular spatial structure and material performance of Alq_3,(Znq_2) and Liq, lead the conclusion that the molecular spatial structure of Mq_n affects its material performance in such aspects as the rigidity of planar molecular structure, intermolecular interaction, molecule stacking mode and intermolecular distance.

制备了_2，通过对_2和Liq的分子空间结构与性能进行分析与讨论，发现_2是通过两个Na-O-Na键桥将两个Liq和两个Naq连接构成的，其分子平面结构的刚性程度强于Liq，空间位阻大于Liq，分子之间的距离大于Liq，分子极性远远小于Liq；_2的荧光寿命长于Liq，荧光量子效率高于Liq，成膜性优于Liq；_2的禁带宽度比Liq大，光致发光光谱中_2的最大发射峰较Liq发生蓝移；当_2在OLED中作为发光层时，激发二聚体与激基复合物的生成几率远远小于Liq，发的光比Liq更蓝，电流效率大于Liq；_2超薄膜中有Na离子的存在，与Liq超薄膜相比，当其在OLED中作为电子注入层时，具有更大的电流密度，更高的发光强度，更低的阈值电压和更高的电流效率 5、对上述Alq_3、Znq_2和Liq的分子空间结构与材料性能之间的关系进行了归纳总结，认为Mq_n的分子空间结构主要在分子平面结构的刚性程度，相邻分子之间的相互作用，分子堆叠的方式和分子之间的距离这四个方面影响其性能。

In the United States, chronic alcoholism and hepatitis C are the most common ones.

在美国，慢性酒精中毒，肝炎是最常见的。

If you have any questions, you can contact me anytime.

如果有任何问题，你可以随时联系我。