dissociation energy
英 [dɪˌsəʊʃiˈeɪʃn ˈenədʒi]
美 [dɪˌsoʊʃiˈeɪʃn ˈenərdʒi]
离解能
双语例句
- Number two is dissociation energy.
第二项是离解能。 - In contrast, the dissociation energy of a bond for hydrogen, and molecular hydrogen is everywhere around us, we see432 kilojoules per mole.
相反，氢分子在我们周围到处都是，一个氢分子的离解能，是432千焦每摩尔。 - So what we can actually directly compare is the dissociation energy or the bond strength of nitrogen versus hydrogen.
因此实际上我们可以直接进行比较，对氮分子与氢分子的离解能，或键的强度。 - And so we can actually think about how do we calculate what the dissociation energy should be for h2, so let's go ahead and do this.
因此，我们其实可以想到应该如何计算，氢分子的离解能，那么我们开始做一下吧。 - So, another way to talk about dissociation energy is simply to call it bond strength, it's the same thing, they're equal to each other.
讨论离解能的另外一种方式，是直接称它为键的强度，它们是一样的，彼此相等。 - It only has a dissociation energy of. 1 kilojoules per mole.
它的离解能只有0。01千焦每摩尔。 - Quantitative Structure-property Relationship Study on N-H Bond Dissociation Energy of Arylamines
芳香胺类化合物N&H键离解能的定量构效关系研究 - There's a bond dissociation energy going from the lowest available level in each molecule to the dissociation limit where we pulled the atoms apart.
我们把每个分子从最低能量把原子拉开，所需要的能量，叫裂解键能。 - A number of band heads were identified, leading to the determination of the dissociation limit, the dissociation energy, the force constant, and the fundamental vibrational frequency of the iodine molecule.
确定了大量的带头，由此得出了碘分子的离解限、离解能、力常数和振动基频。 - In this paper, we investigate the relationships between the rates of vibrational-translational energy relaxation and the molecular dissociation energy, density and temperature for diatomic molecular in condensed state by the computer simulation with molecular dynamical method.
本文利用分子动力学计算机模拟方法，研究了稠密态双原子分子振动-平动弛豫速率与分子离解能、密度和温度的关系。 - Theoretical study on the geometry and bond dissociation energy of Tri-EGDN and Tetra-EGDN
两种太根（Tri-EGDN和Tetra-EGDN）的几何结构和键裂解能的理论研究 - Part 1 briefly describes the importance of the vibrational spectrum and the molecular dissociation energy of diatomic molecular electronic states.
第一部分概述了研究双原子分子的振动能谱和离解能的意义。 - Though this way is different from those in which the bond enthalpy and equilibrium dissociation energy De can be obtained, the results of calculation are well in accord with experiment values of De.
该方法虽有别于求键焓和平衡离解能De，但计算结果和De的实验值甚相符合。 - This article is devoted to the measurement of the appearance potential of the Same molecule ion in two processes and of the dissociation energy of molecules by mass Spectrometry.
本文测定设计的两个过程中同一分子离子的表观电势，用质谱法测定出分子的离解能。 - This article deals with the influence of electro-negativity, dissociation energy, hybridization, electron effect and size of space effect of the principal elements on the acid-base intensity.
本文主要从电负性的大小，离解能、杂化以及电子效应与空间效应等方面对酸碱强度进行了讨论。 - For dissociation energy, zero point vibration energy ( ZPVE) is calculated and basis set superposition error ( BSSE) is corrected by counterpoise method.
解离能计算进行了零点振动能（ZPVE）校正，并运用完全均衡校正法对基函数重叠误差（BSSE）进行校正。 - Theoretical calculation of bond dissociation energy and enthalpy of formation for trinitromethane
三硝基甲烷键离解能和生成焓的理论计算 - A simple approximate equation has been proposed in this paper. It can be used to estimate the bond dissociation energy of the covalent bond in conjugated systems from the π-bond order computed through the HMO methed.
本文提出一个由HMO法计算π键级的估算共轭体系中键离解能的简易近似公式。 - The influence of gas on the threshold of plasma shielding depends mainly on the thermal conductivity and dissociation energy of gas, while the influence of ionization energy is the secondary compared to the thermal conductivity and dissociation energy.
辅助气体对等离子体屏蔽临界功率密度的影响主要取决于气体的导热性和解离能，相比而言，气体电离能的影响是次要的。 - The molecular modeling of Shenmu coal macerals has been studied and the energy compositions, bond length and bond dissociation energy ( BDE) of different types of bonds in the vitrinite and inertinite have been compared by molecular mechanics and semi-empirical calculation method of quantum chemistry.
采用分子力学和半经验量子化学方法，研究了神木煤显微组分的分子结构模型，比较了镜质组和惰质组分子模型的能量构成、不同类型键的键长和键裂解能。 - The calculated values of potential curves of the closed shell homonuclear diatomic molecules of the hydrogen, alkali metals and second periodic elements are listed, the equilibrium distance and the dissociation energy thus obtained are in good agreement with the experimental values.
文中列出了氢、碱金属和第二周期元素闭壳层同核双原子分子的位能曲线计算值，得到的平衡核间距和解离能数值与经验值符合良好。 - And the methods to calculate bond dissociation energy were summarized, as a result, the formula to calculate BDE was chosen in view of zero point energy correction while DFT were adopted.
全面总结了前人对键解离能的计算方法，选择了本文计算键解离能所采用的公式，考虑了零点振动能修正。 - Based on the Microscopic Process Principle developed in before and "the selection rule for excited state" proposed in the present paper, the dissociation limit and dissociation energy could be determined, by which 63 of PG potentials for the low-lying excited states have been derived.
按照微观过程原理和本文提出的激发态选择规则，可确定低激发态的离解极限与离解能，并导出63个激发态的PG&高斯势函数。 - In this situation, a negative dissociation energy for hydrogen bonds in the hole-trapped and positively charged amino acid-Guanine dimer is observed, which explains the low hole-trapping efficiency.
这种情形下，在空穴俘获的正电荷氨基酸与鸟嘌呤二聚体中可以观察到氢键负离解能现象，这就解释了在这些位点为什么具有低的空穴俘获能力。 - We get the O2 dissociation process and identify the dependence relationship of dissociation energy barrier with O2 coverage. 2.
得到O2在Pt（111）表面的解离过程，发现两种解离途径对O2覆盖度的不同依赖关系。 - Dissociation energy are also calculated.
还给出了有关硫醇分子的解离能。 - Meanwhile, the potential curves of ground state and several low excited states of iodine molecule are separately calculated by UHF and CIS with 3-21G basis sets. The potential curves are used to calculate bond dissociation energy of iodine molecule.
同时，应用量子化学方法UHF和CIS结合基组3-21G分别对碘分子基态和几个低激发态进行扫描得到其基态和激发态的势能曲线，并从曲线计算得到碘分子的解离能。 - To improve accuracy, the zero point vibration energy was corrected in all energy calculations and the basis set superposition error was corrected in the calculation of dissociation energy.
为提高计算精度，能量计算进行了零点振动能（ZPVE）校正，解离能的计算还进行了基组重叠误差（BSSE）校正。 - On the base of calculation, it is shown that the first and second hydrogen molecule is catalyzed by Ti and disintegrated into four hydrogen atoms with low dissociation energy barrier.
计算发现吸附在Ti上的第一个和第二个氢分子被Ti催化，经过一个较低的能垒解离成四个氢原子。 - Due to the high dissociation energy of the C-H bond of methane and the thermodynamically unfavorable reactions, no great progress had been made in the research of conventionally catalytic coupling of methane, and more attention had been paid to the study of new methods.
由于甲烷分子C-H键解离能高及其热力学上的不利反应，在甲烷传统催化偶联研究方面一直未取得很大进展，因此人们对开发新方法的研究越来越多。