查询词典 atomic bond

It was indicated that the effect of crystal orientation on interfacial stability is because of the different atomic bond number formed in the solidification of liquid atoms on different crystal planes, which affects the decrease of system energy, and affects the effective jump frequency of liquid atom migration to solid interface and solid atom migration to liquid, and finally affects the solute distribution in the front of liquid-solid interface and composition undercooling.

研究表明，晶体取向对凝固界面稳定性的影响是由于液相原子在不同晶面结晶面上沉积时形成的原子键不同，影响了系统自由能的降低，影响了液相原子迁移至固相界面上的有效跳动频率和固相原子迁移至液相中的有效跳动频率，影响了液固相界面前沿的溶质分布和成分过冷所致。

E. , plastic deformation developed into a critical state, local stress in dislocation-freezone will be equal to atomic bond strength, which will induce the initiation of SCC microcrack.

为了说明这个附加拉应力在阳极溶解型SCC中的主要作用，对不同含H〓O量的甲醇溶液，用慢拉伸法测量了SCC敏感性，同时测量了自然腐蚀时表层拉应力的大小。

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 relation of the chromatographic retention indices of alkene to topological index,double bond atomic hybridization state index,polarizability effect index of branched chain to double bond atomic,immobile liquid polarity values and column temperatureat different temperatures on different stationary phases was studied.

通过对部分烯烃在不同固定相不同柱温下的1031个样本集的气相色谱保留指数值与其部分参数关系的研究，发现RI与拓扑指数、双键原子杂化状态指数、支链对双键的极化效应指数、固定液极性值及柱温的关系可表示为：^RI=-58.138+57.7460Q-8.2591Q+0.120T+0.807CP+36.460PBD+7.919DHSI(R=0.9989)继以留一法(Leave-one-out，LOO)进行交互检验，相关系数RCV=0.9977，说明所建模型具有良好的稳定性和预测能力，较好地揭示了烯烃类化合物气相色谱保留指数RI随固定相极性、柱温的改变而变化的规律

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ′(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ′(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ′(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ′(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al—Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al—Li键， Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由于Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ′(Al3Li)亚稳相的前兆结构和生长胚胎；由于Al-Li-空位有序偏聚晶胞的Al—Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ′(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由于Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ'(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ'(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ'(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ'(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al-Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al-Li键，Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由於Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ'(Al3Li)亚稳相的前兆结构和生长胚胎；由於Al-Li-空位有序偏聚晶胞的Al-Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ'(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由於Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

In addition, the changes of molecular geometry, atomic natural charge and IR spectra of the reaction system during the crucial step of O to attack H showed that the rupture of C—H bond and the formation of O—H bond were concerted stepwise. Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.

NO2中O进攻1-H决速反应过程中，分子几何、原子自然电荷及IR光谱变化表明， C—H键的断裂和N—H键的形成是一个协同过程；参与新键形成和旧键断裂原子C(1)， H(11)， O(28)， O(29)和N(27)的原子自然电荷及与其相关的键长、键角有明显的变化。

Halogenated aromatic compounds with great q〓(the most negative net atomic charges on an atom of the molecule), ENC (electron-nuclear attraction energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), qc (thenet atomic charges on the carbon atom of the weakest carbon-halogen bond) and E〓 tend to be reductively dehalogenated slow, while halogenated aromatic compounds with high values of △E (the difference of front-line orbital energy), EEC (electron-electron repulsion energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), Mw, q〓 and α tend to be reductively dehalogenated fast.

卤代芳烃化合物的整个分子的最负的原子净电荷，键序最小的碳卤键中碳原子的单中心项电子-核吸引能，该碳-卤键上碳原子的净电荷和E〓与该卤代芳烃化合物还原脱卤的速率常数负相关；而前线轨道间隙能，键序最小的碳卤键中碳原子的单中心项电子-电子推斥能，Mw，q〓和α与该卤代芳烃化合物还原脱卤的速率常数正相关。

Using atomic bond-type index method and cluster type index method, it has been found that during the microstructure transition processes the forming of icosahedra and its defective structures related to the increasing 1551 bond-type plays a remarkable role.

采用原子键型和原子团簇类型指数法，发现在其微观结构的转变过程中，与不断增加的1551键型密切相关的二十面体及其缺陷结构的形成起了非常突出的作用。

By counting various atomic bond-types and clusters, the distribution data of various cluster polyhedra are obtained.

通过各种键型原子团簇的计算，获得团簇多面体结构的分布数据。

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。