Heat Emit Intensity of Coal Oxidation Evaluated through Bond Energy Change in Programmed Heat Experiment 程序升温实验中用键能变化量估算煤的氧化放热强度
And you have the bond energy in HF. 你得到氟化氢的共价能。
If you looked at heteronuclear molecules and you wanted to compute the bond energy, you might start with the bond energies of the two constituents. 如果你看那些相同电子的分子,你想计算共享能,你也许会从,两个组成部分的总能量。
The hydrogen bond energy is smaller, but its existence actually aspects to the material nature, and structure so on. 氢键的键能较小,但其存在却对物质的性质,结构等方面有很大影响。
Know the concepts of bond length, bond energy and dipole moment. 了解键长、键能、偶极矩的概念。
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? 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?
Compounds with bond energy of180-260 kJ/ mol were considered as good initiators for initiated cracking of n-heptane and nitroethane was the best in the used initiators. 以正庚烷为高碳烃的模型化合物,在微反装置上对正庚烷的引发裂解进行了研究。
And you would find that the bond energy of the heteronuclear molecule was nowhere on the average of the two. 你将发现,电子相同的分子的总能量,并不是平分的。
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. 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。
It is shown that the chlorination of polypropylene could be influenced by three structure factors: C-H bond energy, stability of the macromolecular free radical and configuration of the molecular chain. 影响聚丙烯氯化反应的结构因素主要为C&H键的离解能,大分子自由基稳定性和大分子链构型等。
This phenomenon was explained in the light of bond energy and X-ray diffraction experiment. 结合键能和X衍射实验解释了这一现象。
The calculated values of elements 'electronegativity and bond energy in double-atom molecules show no difference from the Pauling experiment ones. 电负性和双原子分子键能的计算结果与实验值基本符合。
Above investigation shows that the reason why dopant can improve cycling performance is that the bond energy between doped element and oxygen is stronger than that of Mn-0 to stabilize the spinel structure. 只具有较好的循环性能。研究认为,掺杂改善循环性能的主要原因是掺杂元素与氧的键能强于锰与氧的键能而起到了稳定结构的作用。
Simple Calculation of Elements 'Electronegativity and Bond Energy in Double-Atom Molecules 电负性和双原子键能的一种简单算法
Now, it has been applied to calculating atomic and molecular polarization rate, susceptibility, total energy, bond energy etc. 目前已被广泛用来计算原子和分子的极化率、磁化率、总能量、键能等。
However, the transfer of bond energy will be less affected by the anharmonicity when the anharmonicity is smaller. 而当键模非谐性小时,非谐性的大小对键模能的局域化影响不大。
Based on the bond energy model of nanoparticles and the relationship between cohesive energy and vacancy formation energy, the expressions for the vacancy formation energy and the vacancy density of nanoparticles have been derived. 基于纳米微粒结合能的键模型,再根据结合能和空位形成能的关系,推导出了计算自由表面纳米微粒空位形成能和空位浓度的计算公式。
The influence of lone pair on bond energy cannot be an interatomic effect. 孤对电子对键能的影响不是原子间的效应。
In this paper we try to give factors of influence rather completely on stability of nonclassical carbonium ions from bond energy of C& R bond, electronegativity of R, top-atom X, etc. 本文从C&R键键能、R的电负性、顶点原子x等七个方面入手。试图较全面地给出影响非经典碳正离子稳定性的诸因素。
Relationship between the covalent bond energy of sulfides and their precipitation behavior in steel 钢中部分硫化物共价键能与其析出行为的关系
The molecular geometry and the fundamental vibrational frequency are insensitive to the computation conditions, while the total energy and bond energy are pretty sensitive. 分子几何构型和振动基频对计算条件不太敏感,总能量和键能对计算结果较敏感。
The factors influenced the hydrogen bond strength was discussed. The hydrogen bond energy in polypeptides was estimated. 探讨影响氢键性质的主要因素,并对氢键键能进行了初步估算。
Electronegativity Corelation for Calculating the Bond Energy of the Transitional Metal Halides 电负性相关和过渡金属卤化物键能的计算
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. 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。
Molecular Orbital Theory Studies on Bond Energy I. Theoretic Equation 键能的分子轨道理论研究Ⅰ.理论公式
Therefore, the accurate prediction the bond energy is one of the important topics in computational chemistry. 因此,精确地预测分子中化学键能是计算化学领域的一个重要问题。
The chemical bond energy of a molecule is the one of the its thermochemical properties. The bond strength can measure the stability of the molecule. The bond energies can control the rate of many reactions and determine the chemical reaction mechanism. 分子中的化学键能是分子的热化学性质之一,键的强弱可以用来度量分子的化学稳定性的高低,键能值的高低基本上控制了许多反应速度的快慢,也确定了相应化学反应的机理。
The main chains of organic silicone resin are composed of Si-O bond with good flexibility and larger bond energy than C-C bond and C-O bond, therefore organic silicone have excellent heat resistance and weather resistance. 有机硅树脂中主链主要由Si-O键构成,Si-O键柔顺性好,且其键能比C-C键和C-O键的键能大,因此有机硅树脂具有良好的耐热性能和耐候性能。
In Ammonium-type ionic liquids, the cation also can form strong hydrogen bonds, the bond energy is between 30~ 100 kJ · mol-1. 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。
Ethanol electrooxidation on Pt is a structure-sensitive reaction. It is influenced by the catalyst surface geometry and electronic structure, such as the Pt-Pt bond energy, d-state electronic orbital. Pt表面乙醇电氧化属于结构敏感型反应,受Pt-Pt键键能、d态电子轨道等催化剂表面几何和电子结构的影响。