查询词典 bond energy

Compounds with bond energy of 180 -260 kJ/mol were considered as good initiators for initiated cracking of n - heptane and nitroethane was the best in the used initiators.

从化学键能的角度筛选了引发剂，键能为180-260kJ／mol的化合物对正庚烷热裂解有较好的引发效果，其中硝基乙烷的效果最明显。

Based on the free electronic band model, we study the relationship between average bond energy E m and Fermi level E F in face centered cubic crystal, body centered cubic crystal and hexagonal closed packed structure crystal.

根据半导体自由电子能带模型，文中在面心立方晶体、体心立方晶体和 6角密堆积晶体中研究自由电子能带的平均键能 Em 和费米能级 EF 的关系，并得出自由电子能带的平均键能 Em 相当于费米能级 EF 的研究结果。

The bonding energy of the mixed covalent/metallic Ti-Al bond for the Ti-terminated Al/TiB_2 interface is larger than that of the polar covalent Al-B bond with partial ionic-like feature for the B-terminated interface. Metallic bond between Al atoms forms across the Al/AlB_2 interface, which results in weaker interfacial adhesion than that for the Al/TiB_2 interface. The interfacial energy for Al/TiB_2 depends on the interfacial chemical potential.

Al熔体中仅存在TiB_2粒子，而无多余溶质Ti时，α-Al在TiB_2粒子上异质形核产生的Al/TiB_2界面能大于α-Al从Al熔体中直接形核时的液-固界面能，不满足TiB_2粒子充当α-Al有效异质形核核心的能量条件，这从理论上解释了Al熔体内仅存在TiB_2粒子时无晶粒细化效果的实验现象。

The very low N—Cl bond energy in the parent ion of nitrosyl chloride is a clear reason for the absence of ClNO＋ and ClN＋ ion peaks from the femtosecond laser mass spectrum.

结果表明，ClNO母体离子中键能很弱的N-Cl键是造成飞秒质谱中母体离子ClNO+和碎片ClN+缺失的主要因素。

As to thymine, the bond energy of the ion with the most stable tautomer of the free nucleic acid base is the weakest among the three tautomer＇ s complexes, and that of the ion with least stable tautomer of the free nucleic acid base is the strongest .

在互变异构体复合物中，键能是依赖于金属离子成键的位置，而总能量取决于全部的原子和它们之间的相对位置，这可能是造成几种互变异构体复合物键能和总能量变化趋势并不一致的原因。

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。

Based on Seah's"new"theory, the four modification are adapted: a The modification factor α〓 is introduced according to the properties of impurities and the rule of cohesion bonds; b The parameter of cohesion bond energy ε〓 is calculated from the sublimation enthalpy according to chemical coordination number.

这为基于合金晶界微化学设计的合金韧化工作指明了方向，并从思路及方法上，阐述了可能性。 4。本文研究了合金设计专家系统所需的知识表达方式，认为以语义网络为基础，并结合产生式规则的知识表达模式，比较适合于合金设计领域的知识描述。

The synthetic reactions of sobitol acetals from sobitol and benzadehyde were considered being exothermic according to the bond energy changes of the reaction and the reaction mechanisms were described.

介绍了多元醇缩醛类成核剂的发展历程和合成工艺。从键能变化的角度分析了反应的热效应，认为在标准状态下该反应属于放热反应。

The results show that the torsion energy and van der Waals interaction energy are the main types of energy and the substitution group has a great effect on the total energy of molecular. The aliphatic substitution would lead to the increase of total energy, while the aromatic substitution would lead to the decrease of total energy. The calculated results of bond length show that the bond length of aliphatic C—C is longer than that of aromatic C—C, which indicates that the rupture of aliphatic C—C is easier than that of aromatic C—C on heating.

研究结果表明，扭转能和范德华能是分子中的主要作用力，取代基对体系能量有明显影响，烷基取代基使体系能量增加，而苯基取代基使体系能量降低；脂肪C—C键长比芳香C—C键长长，说明脂肪C—C在受热过程中比芳香C—C更容易断裂分解。

The result show that the N elements curbed the transition from anatase phase to rutile phase , Doped-N was in the structure of the TiO2 as the form of Ti-O-N and formed a new bond energy level;N-doped changed the paramagnetic of the characteristics. The paramagnetic resonance spectrum of TiO2 showed anisotropic and showed hyperfine splitting, The Lande factor of Ti3 + combined with the N is 1.956. UV-Vis absorption spectra showed that the photocatalytic ability of photocatalyst TiO2-xNx to expand to the visible region, the sample (3.84wt %) has the highest photo catalytic activity, the adsorption edge extend to 520nm and degradation is 55.54% under the visible light for 1.5h.

研究结果显示，N元素抑制了锐钛矿相向金红石相的转变，阻止了晶粒的长大，掺杂的N元素以O-Ti-N的形式存在于光催化剂结构中，形成了新的能级结构；N掺杂改变了催化剂的顺磁特征，使TiO2的顺磁共振谱线呈现各向异性，发生了超精细分裂，其中g2=1.956，是与N结合的Ti3+的朗德因子；紫外可见光吸收谱表明，催化剂TiO2-xNx的光响应能力拓展到可见光区，光吸收带发生红移；光催化测试结果显示，掺杂量为3.84的TiO2-xNx在可见光区的响应能力最高，吸收波长延伸至520nm，其光催化活性最大，1.5h降解率达到55.54%。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。