键能

词组短语

bond energy

与键能相关的网络例句 [注：此内容来源于网络，仅供参考]

According to MOT,this paper discusses dimensions of bond order and bond energy for O_2 and O_2~+.

根据MOT，讨论了O_2和O_2~+键级、键能的大小，指出：并不能根据键能的大小判断它们的热力学相对稳定性，因为它们没有可比性。

A new way of calculating bond energy is proposed proceeding from LCAO-MO.

从LCAO-MO出发，给出了一个计算键能的近似方法，即EAB-∑∑CaiSabCbiεi为第i个占据分子轨道中的一对电子对A-B键键能的贡献。

All the three energies ( electronic energy, electrostatic energy, and bond energy ) also affected the activity and helped us to construct the final QSAR model.

静电能、键能对活性呈现明显之负相关，其中键能对於活性的影响可以用线性分析得到很好的结果。

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 result makes clear, the hydrogenous key key of hydrate brilliant acupuncture point can be strong at water element 2 get together body and the hydrogenous key key in putting crystal lattice on the ice can.

结果表明，水合物晶穴的氢键键能强于水分子二聚体和冰晶格中的氢键键能。

However, the thermal stability of metallic coordination polymer hardly enhanced in comparison with the polymer never coordinated transitional metallic ions. The reason might be that the energy of coordinate bond formed between metallic ion and polymer was trival in comparison with that of covalent bond in polymer. It started with coordinate bond when the coordinate polymer decomposed under high temperature, so it engendered little for the thermal stability at high temperature.

而金属配聚物较未配位金属的配体高温热稳定性提高不大，可能是由于金属离子与配体之间形成配位键的键能与配位体内的共价键键能相比要小得多，当金属配聚物受热裂解时，首先从配位键开始，因此对高温热稳定性的影响甚微。

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。

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

In this paper, active groups terminated silicane was used to react with the hydroxyls of bisphenol A epoxy resins, that introduced organic silicon without consuming epoxy groups. This modifying process improved the combining degree of the cured resin, so both the toughness and the other characters (as strength, thermal resistance) were all could be improved.

为此本论文采用国内外文献中尚未见报道的、带活性基团的有机硅来改性双酚A型环氧树脂，通过端基基团与环氧链上的羟基反应生成大键能的Si-O键的方式来引进有机硅，改性过程中不仅不消耗环氧基，并且还提高了树脂固化物的交联密度，所以既能增韧树脂，又能提高其耐热、耐冲击等各项性能。

The intramolecular hydrogen bonding energies for some special systems were evaluated by means of the substitution method, cis-trans method, and supermolecular approach. The intramolecular hydrogen bonding energies predicted by the substitution method agree well with the values obtained by the cis-trans method and the supermolecular approach.

对一些特殊体系，使用取代法，cis-trans方法和超分子方法计算了氢键键能，取代法计算得到的氢键键能与cis-trans方法、超分子方法的计算结果相符。

与键能相关的网络解释 [注：此内容来源于网络，仅供参考]

binding energy：键能

binder 粘合剂 | binding energy 键能 | binding material 粘合剂

bond energy：键能

上课还拿阿拉伯英语讲讲笑话--讲键能(bond energy)的时候就说"Usually bond is James Bond. . . "唉,这种笑话很难翻译成中文,要不咱们中国老师上课的时候也可以用. . .

bond energy：键能 本文来自:博研联盟论坛

370. bond oength 键长本文来自:博研联盟论坛 | 371. bond energy 键能 本文来自:博研联盟论坛 | 372. bond angle 键角本文来自:博研联盟论坛

chemical bond energy：化学键能

"chemical weapon","化学武器" | "chemical-bond energy","化学键能" | "chemically reactive state","化学反应态"

molecular bond energy：分子键能

molecular bond 分子結合 | molecular bond energy 分子键能 | molecular cardiology 分子心脏病学

phosphate bond energy：磷酸键能

phoeomelia 短肢畸形 | phosphate bond energy 磷酸键能 | phospholipid 磷脂

energy, bond：键能

撞击能量 energy, bombardment | 键能 energy, bond | 结合能 energy, bonding

Bond Enthalpies：键能

96. Bond Angles 键角 | 97. Bond Enthalpies 键能 | 98. Bond Polarity 键矩

Bond Enthalpies：键能本文来自:博研联盟论坛

96. Bond Angles 键角本文来自:博研联盟论坛 | 97. Bond Enthalpies 键能本文来自:博研联盟论坛 | 98. Bond Polarity 键矩本文来自:博研联盟论坛

Bond Enthalpies：键能HHC化学化工资源导航

96. Bond Angles 键角HHC化学化工资源导航 | 97. Bond Enthalpies 键能HHC化学化工资源导航 | 98. Bond Polarity 键矩HHC化学化工资源导航