原子键

The structure is formed by the assemblage of the second building units: cancrinite cage, according to the hexagonal space groups P63/mmc. It has not only the 18-ring pore channel system which parallels to the c-axis as in VPI-5, but also 10-ring pore channel system along both a and b-axis. The results obtained from calculating the bond distances and angles between the...

与VPI-5类似，具有平行于c方向的十八元环直孔道结构，但侧面有十元环孔道，通过计算该结构模型各原子间的键长、键角，认为该结构有可能存在，采用POWD-MODELING程序，计算了它的理论XRD谱图并绘制出其立体拓扑结构。

Structures of Na~+-AD ion-complexes with 1 or 2 H2O molecules were obtained. It was found that H2O can bond with Na~+ in the structure of Na~+-AD to form Na-O van der Waals bond. H2O molecule can also bond with N or O atoms in AD moiety to form H-bonds as N-H…Ow or O…Hw-Ow. The former process takes place more easily. The most stable structures of Na~+-AD ion-complexes with 1 and 2 H2O molecules are W-C7AB and 2W-C7AB, respectively.αB conformer of Na~+-AD can not exist in the presence of 2 H2O molecules.

研究发现水分子可以结合在Na~+-AD络合离子中的Na~+附近形成Na-OW范德华键，也可以与Na~+-AD络合离子骨架结构中电负性较强的N或O原子结合形成N-H…OW或O…HW-OW氢键，相对而言，水分子更容易结合在Na~+-AD络合离子中的Na~+位置，Na~+-AD最稳定的带1个或2个水分子的结构分别为W-C7AB和2W-C7AB，Na~+-AD络合离子的αB构象在2分子水存在的情况下完全消失。

Based on the average lattice and average atom models, effects of interstitial impurities on the valence electron structures and phase transformation of Ti-Al alloys are analyzed, and the degree of descension of bond energy, melting point and liquidus temperatures as affected by interstitial impurities are calculated by the bond energy formula of the EET.

应用固体与分子经验电子理论的平均晶胞和平均原子模型分析计算了间隙杂质对Ti-Al合金价电子结构和相变的影响。同时根据该理论的键能公式计算了间隙杂质影响下的键能、熔点和液相线的变化。

Bond'.'' consisting of a hydrogen atom between two electronegative atoms (e.g., oxygen or nitrogen) with one side be a covalent ''.

一种化学键：由两个负电原子及其间的氢原子组成，其中一边是共价键，另一边是离子键。

A chemical bond consisting of a hydrogen atom between two electronegative atoms (e.g., oxygen or nitrogen) with one side be a covalent bond and the other being an ionic bond .

一种化学键：由两个负电原子及其间的氢原子组成，其中一边是共价键，另一边是离子键。

Compared to human oxyHb, the stereochemistry of the haem group region of both the α and β subunits show some difference.

同人oxyHb分子相比，α和β亚基中血红素区域的空间构象发生了一些变化，特别在β亚基，远侧HisE7（63）的咪唑环距血红素平面较远同时绕C〓-C〓键旋转了15°，这使得E7N〓原子同O（2）之间的氢键成为可能。

Ionic bond A bond formed when an electron passes from one atom to another.

离子键：一种由于电子在两个原子间迁移而产生的键。

When the molecular force field was used to treat solution systems, not considering the movement of electrons, in many force fields the chemical bonds between atoms must be confirmed to make sure that they can't be destroyed or formed in modeling procedure.

在用分子力场来处理溶液体系的时候由于没有考虑电子的运动，所以在很多力场中，原子间的化学键必须确定，以确保在模拟过程中化学键不会破坏或生成。

Nonclassical multiple bonds exist between the heavy atoms, such as Si, Ge, Sn, etc.

在难以形成经典多重键的重原子之间可以形成一种非经典多重键。

Because of the nondirectional property of ionic bond and the fully delocalized property of pi electrons on carbon layers, translation will not change the electronic structure of carbon layers, resulting in that A-GIC and AE-GIC hare quite good lubrication as well. The electrons come from metals mainly transfer to the delocalized pi orbitals of carbon layers, and the increase of delocalized electrons will make metal graphite intercalation compound more electro-conductive than graphite itself. Because ionic bond between metals and carbon layers is weaker and its lattice energy is much less than that of typical NaCl crystal, so metals could be left from interlayers. The Mulliken populations of C-C in intercalation compounds are smaller than that of graphite, and the HOMO energy level of GIC is higher than that of graphite too. These Lead to that GIC will easier be oxidized.

由于离子键没有方向性，又由于碳层中的π电子是充分离域的，所以碳层不会由于平移而改变其电子结构，金属石墨层间化合物仍具有很好的润滑性；金属失去的电子主要转移到碳层的离域π轨道中，碳层离域电子增多使金属石墨层间化合物的导电性比石墨增强；金属与碳层间的离子键强度比较弱，其晶格能远小于典型的离子晶体，因而金属易从石墨层中脱出；金属石墨层间化合物中的C-C间Mulliken布居值小于石墨中C-C间的值，且金属石墨层间化合物的HOMO能级也高于石墨的HOMO能级，所以石墨层间化合物中的碳原子较石墨更易被氧化。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。