结合能

It has both the agility of the spear and the force of the cudgel, with the diverse movement of the Shaozi, so it is movements like the combination of hacking, pricking and stabbing can virus by the twisting, swinging and uppercut of Shaozi Cudgel. It is quite hard to win each other when they are practiced together.

梢子棍也是其中之一，它既有枪的灵活又有棍的威力，又加上自身梢子头的灵活多变，用梢子棍破枪，正是棋逢对手******通常是做真线运动的，它的劈、扎、刺结合能破梢子棍的缠、绕、撩所化解，两个器械合在一起对练，先难分出上下高低。

According to the empirical electron theory of solid and molecule, the valence electron structure and theoretical cohesive energy of WSi2 were calculated by the BLD method.

根据固体与分子经验电子理论，通过键距差方法，计算了金属间化合物WSi2的价电子结构和理论结合能。

Four fully optimized geometries of the mixture of polymeric binders and silane coupling a gents are obtained by means of the density functional theory at the B3LYP/6-31G level. The intermolecular interaction energies are calculated with zero point energy correction and basis set superposition error correction.

运用密度泛函理论在B3LYP/6-31G水平上求得高聚物粘结剂与硅烷偶联剂混合体系的4种优化构型，经零点振动能和基组叠加误差校正后求得混合体系的最大结合能为24.51kJ/mol。

Using the one-atom theory, the electronic structures of Pt-electrocatalyst with fcc structure was determined as follows:(5dn)6.48 (5dc)2.02 (6sc)1.48(6sf)0.02. Compared to the result obtained by the first-principle method such as FP-LMTO, CASTEP, their results are in good agreement with each other. Comparing the calculations of physical properties such as lattice constants, cohesive energy and bulk modulus by OA method and first-principle method, the result obtained by OA method is in excellent agreement with experimental value, but the result obtained by first-principle method is not accordable. The relationship between the electronic structures and catalytic performance was explained qualitatively by OA method and first principle method according to its electronic structures. Because the d-orbital vacancies increases and static density is high around Fermi energy band, Pt has good catalytic performance.

摘 要：依据纯金属单原子理论确定面心立方结构电催化剂Pt的电子结构为(5dn)6.48(5dc)2.02-(6sc)1.48(6sf)0.02，与采用第一原理的FP-LMTO和CASTEP等方法所计算的电子结构相比较，其结果非常相近；由OA理论和第一原理方法计算的晶格常数、结合能、体弹性模量等物理参数进行比较，OA理论计算的结果与实验值较符合，而第一原理方法计算的结果与实验值相差较大；在此基础上用OA理论和第一原理方法研究了Pt的电子结构与催化性能的关系，由于d带空穴增多和费米能级附近态密度较高，导致金属Pt的催化性能很好。

The calculations indicate that Co should be inside of Ge〓, and bicapped tetragonal antiprism structure with D〓 symmetry is found to be the most stable structure of the cluster anion CoGe〓, which has the higher bonding energy and embedding energy.

激光双重烧蚀反应表明Co原子不在Ge〓团簇的外表面，量子化学计算表明，Co原子应在Ge〓团簇的内部，具有D〓对称性的双戴帽反四棱柱构型是幻数团簇离子CoGe〓势能面上的最低点，且具有较低的结合能和内包覆能。

The quantum size effect of a very small thickness circular disclike GaAs quantum dot on exciton's ground state binding energy and the electron-hole distance are studied by using calculus of variations.

利用变分法研究了有很小厚度圆盘形GaAs量子点模型中激子的基态结合能，及电子-空穴间距随量子点尺寸变化的规律。

The calculated results showed that the structural energy and atom binding energy of α-Zr are lower than those of α-Mg,and the Mg/Zr interface energy is lower than the surface energy of Mg,which,in an energetical point,explains the experimental phenomenon.

采用递归法计算了α-Mg与α-Zr的结构能、原子结合能，Mg/Zr界面能与Mg/液态Mg界面能，Mg中Zr及Zr中Fe，Mn，Si等杂质原子相互作用能。

The entire small intestine can be examined by double-balloon push enteroscopy with the combination of both oral and anal routes. In the etiological diagnosis of obscure small intestinal bleeding, enteroscopy is superior to enteroclysis.

经口腔和经肛门进镜方式结合能使推进式双气囊小肠镜完成对全小肠的检查，其在不明原因小肠出血的病因诊断方面明显优于小肠钡灌检查。

In the forth part, the heterotactic enthalpic pairwise interaction coefficients between amino acids and butanediol isomers (1,3-butanediol, 1,4-butanediol and 2,3-butanediol) at 298.15K and 310.15K are discussed.

第五部分：采用密度泛函理论等方法研究了甘氨酸分子分别与丁二醇的三种异构体分子以1：1的比例形成的氢键络合物，从B3LYP6-31G到6-31 G基组水平进行了优化，利用结合能数据讨论了焓对作用系数的差别。

The effects of the external electric field on the hydrogenic impurity states in the GaAs quantum wire with a finite confining potential are studied by a variational method.

给出了杂质态结合能在不同的电场强度下随量子线半径、杂质位置的变化关系。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。