键能

平均键能Em的物理内涵探讨

Study on physical connotation of average bond energy e_m

结构参数P与ABn型无机物总键能的关系

Studies on the relationship between structural parameter P and total bond energy of AB_n molecule

结合键能和X衍射实验解释了这一现象。

This phenomenon was explained in the light of bond energy and X-ray diffraction experiment .

Ni基高温合金中MC碳化物的Raman光谱及键能计算

Raman spectra and calculation of bond energy of MC carbides in Ni-base Superalloy

通过DSC和拉伸试验，从宏观及键能角度分析了两种骨修复材料的力学性能；

The DSC and tension strength of both bone matrices were compared .

Schottky势垒中的电中性能级、平均键能和费米能级

Charge-neutrality Level , Average-bond-energy and Fermi Level in Schottky Barrier

锕系配合物中vanderwaals能与配位键能之间的平衡Ⅰ。

Balance between Coordination Bond and Van der Waals Energies of the Complex Compounds of Actinides I.

CO／H在Ru／SiO2和Pt／SiO2催化剂上吸附和反应的成键能研究

A theoretical study of the chemisorption and reaction of co / hon Ru / sio_2 and Pt / sio_2 with the bonding energy criterion

与Mulliken重叠布居Pb不同，在成键能Eb中同时包含了原子轨道间的重叠因素和原子轨道的能量因素。

It 's different from Mulliken 's overlap population criterion P_b that both of the energy factor of atomic orbitals and the overlap factor between atomic orbitals are included in E_b .

原子集团展开和平均键能方法在InxGa（1－x）As／GaAs系统中的应用

Application of Cluster Expansion and Average-bond-energy Method to In_x . Ga_ ( 1-x ) As / GaAs System

在你的表格里也有，如果让我们来猜猜，你会猜HF的键能是多少呢？

Well , you go look in your table So , if I had to guess , 4 what would you guess the bond energy would be in HF ?

因此，在理想金属-半导体接触的势垒高度理论计算中，采用半导体平均键能Em作为参考能级，可以获得比较可靠的计算结果。

This indicates that reliable calculation results can be obtained by taking E_m as the reference energy level in the calculation of the barrier height of ideal metal-semiconductor contacts .

用键能E（AB）和Mulliken布居对化学键强度的判别进行了分析比较。

The comparison of the judgment of chemical bond strength by means of bond energy ( EAB ) and Mulliken 's overlap population ( MAB ), has been discussed in this paper .

计算机模拟显示四个表位肽都能与HLA-A2分子结合，锚点残基的距离均在15-20埃之间，各候选肽具有相似的非键能、氢键数，符合HLA-A2限制性CTL表位的要求。

In molecular simulation those four candidate epitopes were proved to bind HLA-A2 with a distance between the two major anchor residues from 15 ?

计算结果指出，异腈与羟基化合物之间可以形成相当强的氢键，该体系氢键键能的减弱与OH键的伸缩振动红外光谱的红移有明显的平行关系。

The results of calculation confirm the formation of rather strong hydrogen bonds between isonitriles and hydroxyl compounds , as indicated by experimental evidences . The calculated hydrogen bond energies vary with the same tend as the red shift of IR spectra of the OH bonds .

所得结果说明：它们的禁带宽度Eg都可统一地表为键能和邻键间共轭积分的线性函数，与共价结构的形式无关。

The results showed that the band gaps Eg can generally be expressed as a linear function of the bond energy and the resonance integrals between the neighbouring bonds , irrespective of the covalent structural types of the semiconductors .

胺型离子液体中阳离子也可以和水分子形成强氢键作用，其氢键键能范围在30～100kJ·mol-1之间。

In Ammonium-type ionic liquids , the cation also can form strong hydrogen bonds , the bond energy is between 30 ~ 100 kJ · mol-1 .

好的，键能的类型，我们能够在表中查到，都是独立的原子键，H-H，F-F以及类似的。

All right , so the type of bond energies that we can go and look up in tables are individual atom bonds , H-H , F-F , and the like .

本文对氢、氧在过渡金属上的反应活化能以经验的键能键级（BEBO）进行预报。

The empirical bond energy bond order ( BEBO ) approach has been extended in order to make predications of the energies of activation of reactions for H2 and O2 on transition d-metals .

对十四种取代乙烯（XX′CCYY′）顺反异构体进行了DFTB3LYP/631G（d）水平的几何全优化的总能量、总键能的计算。

The fully-optimized molecular geometries and the total energies as well as the total bond energies of cis - and trans-isomers in substituted ethylenes ( XX ′ CCYY ′) have been calculated using DFT method at B3LYP / 6-31G ( d ) and STO-3G lever .

金属-半导体超晶格中的金属费米能级和半导体平均键能

Average - Bond - Energy and Fermi Level on Metal-Semiconductor Contacts

负的裂解键能，所以在这我们会得到正数。

So we 're going to have a positive number there .

产生两套π键能数据的原因

The reason for bringing on two sets of pi-bond energy data

超晶格分子层中的键能和平均键能的研究

On Bonding Energy and Average Bonding Energy in Superlattice Molecular Layer

电负性相关和过渡金属卤化物键能的计算

Electronegativity Corelation for Calculating the Bond Energy of the Transitional Metal Halides

电负性和双原子键能的一种简单算法

Simple Calculation of Elements ' Electronegativity and Bond Energy in Double-Atom Molecules

用分子轨道理论计算离子性分子键能的尝试

An attempt to calculate ionic molecular bond energy by m.0.theory

对于大多数分子，我们知道他们的裂解键能。

And for lots of molecules , we know the dissociation energies .

共价化合物的某些化学性质的键能表征

Characterization of Some Chemical Properties of Covalence Compounds by their Bond Energies

键能的分子轨道理论研究Ⅰ.理论公式

Molecular Orbital Theory Studies on Bond Energy I. Theoretic Equation