离解能,Dissociation energy
1)Dissociation energy离解能
1.An analystic computional method on the bond length and dissociation energy of H_2~+ ion;氢分子离子H_2~+键长和离解能的一种解析计算法
2.The AEM dissociation energy excellently agrees with known experimental De,and the AEM can generate reasonable appr.用代数能量方法得到了Li2分子9个电子态的振动光谱常数,完全振动能谱{Ev}和分子离解能De。
3.The full vibrational spectra and dissociation energies of the X1∑+,(1)3∑+ and a3∑+ electronic states of NaRb molecule are studied using the algebraic method(AM) and the new analytical formula for dissociation energy proposed recently by Weiguo Sun and coworkers.本文应用孙卫国等最近建立的代数方法(AM)和精确计算双原子分子离解能的新解析表达式研究了NaRb分子的X1∑+,(1)3∑+和a3∑+电子态的完全振动能谱和离解能。
英文短句/例句
1.Density Functional Calculations of Bond Dissociation Energies for Removal of Nitrogen Dioxide Moiety in Some Nitroaromatic Molecules;用B3P86方法计算离解掉硝基芳香烃类分子中二氧化氮的离解能
2.Theoretical Studies on Vibrational and Rotational Spectra and Dissociation Energies of Diatomic Molecules;双原子分子振转能谱和离解能的理论研究
3.ciative neurosis癔病离解神经官能症
4.Study of Isolating and Tamming LAS-Degradation Bacteria as well as Their Degradation Capability;LAS降解菌分离、驯化及降解能力的研究
5.Does it have any effect against the disintegrate spell or disintegrate power?“星质护甲”异能对“解离术”法术或异能呢？
6.Isolation, Identification and Characterization of Organophosphorus-degrading Strains;高效有机磷降解菌的分离、鉴定和降解性能研究
7.Isolation, Degradadtion and Phylogenetic Analysis of Organophosphate Degradative Strains;有机磷降解菌的分离、降解性能及系统发育研究
8.Isolation and Identification of Carbofuran-degrading Microoganism YM3 and Its Degrading Characteristics;呋喃丹降解菌YM3的分离鉴定及降解性能研究
9.Isolation and Identification of Silkworm Pupal Oil Degrading Strains and Their Degradation Capability;家蚕蛹油降解细菌的分离、鉴定及降解能力测定
10.Isolation, Identification and Degradation Characteristics of Petroleum-Degrading Bacteria;高效石油烃降解菌的分离、鉴定及降解能力研究
11.Screening and isolation of two fungi strains capable of degrading herbicide glyphosate and its degradation efficiency;两株草甘膦降解真菌的分离及其降解效能研究
12.How Is It Possible to Realize Interpretation?──On the Hermeneutic meanings of “distanciation”;理解何以可能──论“时间距离”的哲学解释学意蕴
13.Correlation between Hydrolysis Degree and Solubility of Soybean Protein Isolate大豆分离蛋白溶解性能与水解度相关的研究
14.Isolation,Identification and Degradation Ability of Phenanthrene-Degrading Bacteria from Contaminated Soils污染土壤中菲降解菌的分离鉴定及其降解能力
15.Isolation,Identification and Phosphate-Solubilizing Capability of Saline-Alkali Tolerance PSMs耐盐碱解磷菌的分离鉴定及解磷能力研究
16.Isolation of an Anthracene-Degrading Strain Aspergillus fumigatus A10 and Its Degradation Characteristics蒽降解菌烟曲霉A10的分离及降解性能研究
17.The solving of both these problems is not separable in the slightest degree from practice.这些问题的解决，一点也不能离开实践。
18.No context, no text.脱离了上下文，就不能正确理解词义。
相关短句/例句
Bond dissociation energy键离解能
1.By comparing the computed energy and available experimental result,we find that the B3LYP,B3P86 and CBS-Q methods are unable to give a good result of bond dissociation energy,however,the.用B3LYP,B3PW91,B3P86,CCSD配合不同大小的基组及CBS-Q方法计算了在分子NH2NO2,CH3NNO2,(CH3)2NNO2和RDX中离解掉二氧化氮的键离解能。
3)bond dissociation enthalpy键离解能
1.The electrostatic effect constants for the substituents in an aromatic system were used firstly to study thebond dissociation enthalpy (BDE) of a halomethane system Y-CHnX3-n (n=0,1,2 and 3; Y=H,F,Cl,Br and I; X=F,Cl,Br and I).将芳环上取代基的电子效应参数引入卤代甲烷,以卤代甲烷分子Y-CHnX3-n(n=0～3;Y=H,F,Cl,Br,I;X=F,Cl,Br,I)中Y—C键的标准键焓EYs-C与中心C原子相键连原子的场/诱导效应之和ΣFi、共轭效应之和ΣRi以及诱导偶极之和Σ(α×F)为参数,建立了一个定量估算卤代甲烷分子中Y—C键离解能(BDE)的通用模型,BDE(Y—C)=57。
4)Bond dissociation energy键解离能
1.Through estimating the activation energy values of elementary reactions by the bond dissociation energy of the reaction system, it is calculated that 2, 6-dichloropyridine is the major product in the photochemical chlorination of 2-chloropyridine, which is consistent to the results of the experiment.并从键解离能估计基元反应的活化能角度计算得出2 氯吡啶光氯化优先生成2,6 二氯吡啶,与实验事实相符。
5)Dissociation energy解离能
1.We have calculated the dissociation energy and the force constants.由该势能面计算得到的解离能与力常数与其他方法给出的一
6)bond dissociation energy(BDE)键离解能
1.The bond dissociation energy(BDE) for removal of the NO_2 group from the benzene ring and from the alkyl were calculated for the two class molecules employing B3LYP method of Density Functional Theory with the 6-31G~* basis set.并分别对这两类炸药分子苯环上的C-NO2和烷基上的C-NO2键离解能进行了同等水平的计算。
2.The bond dissociation energy(BDE) for removal of the NO2 group from the benzene ring and from the alkyl were calculated for the four molecules employing the B3LYP-6-31G*、B3P86/6-31G* and B3LYP-6-311G* methods of Density Functional Theory,respectively.并对这些炸药分子苯环上的C-NO2和烷基上的C-NO2键离解能分别进行了三种理论水平的计算。
3.The bond dissociation energy(BDE) is a basic factor which can influence the chemical activity and is an import factor in the course of the free group.键离解能(bond dissociation energy,BDE)是影响化学活性的一个基本因素,也是自由基过程中的关键因素。
延伸阅读
分子的离解能一个处于最低能态的分子分解为完全独立的原子时，从外界吸取的最小能量。分子有振动零点能（见双原子分子振动－转动光谱），同位素效应使折合质量小的分子零点能较高，但由分子内部电荷结构决定的电势能W仍一样；双原子分子的离解能为，因此折合质量小的同位素分子的离解能较小。例如H2、HD和D2分子（其中D为氘原子，是氢的同位素）中，H2的离解能最小，为4.478 00eV，HD和D2分子的离解能分别为4.513 69eV和4.556 18eV。对于以离子键结合的分子，还可能分解为完全独立的离子,这种离解能与上面定义的离解能有区别。例如氯化钠分子(NaCl)离解为完全独立的原子至少需要3.58eV，而离解为完全独立的Na+和Cl-离子至少需要5.00eV。化学领域中所说的分子离解能是指在 1个大气压和25°C温度下 1摩尔理想气态分子分解成完全独立的原子所需的最小能量。例如 1摩尔氢分子在上述条件下分解为完全独立氢原子，至少需要从外界吸取4.362×105 J热量。对双原子分子，离解能也是键能。对多原子分子，离解能和键能的概念不同。例如NH3分子有三个等价的N─H键，但各键按分解先后次序其能量也不同，分别为4.310、3.849、3.598×105 J/mol，离解能应是三者之和，就是1.1757×106J/mol，而平均键能是三者之平均值，3.919×105J/mol。用光谱方法测量分子振动带限的频率来确定双原子分子的离解能，比用化学方法测得的值准确得多。
