键长

词组短语

bond length

与键长相关的网络例句 [注：此内容来源于网络，仅供参考]

Then the experiment of the thickness and deviation dependent shows the continue networks model is more seemlier, in which the amorphous lattice is the same of a single crystal, but its bond distance and bond angle have a little change.

而我们的池厚与分散度关系的实验已说明了厚池中键长键角不归一，当小球标准差为8.4％时，键长键角的变化可以用连续网络的非晶模型来描述，此模型的非晶结构的骨架与单晶相同，但键长键角有小量的无规性。

Effects of helix structure disorder about the hydrogen bond length and helix angle on charge transport of Poly-Polyhave been studied. The results indicate that the hydrogen bond length disorder has a significant effect on charge transport,while the case is contrary in the situation of helix angle disorder.

在双螺旋结构无序中研究了氢键键长无序和螺旋角无序对Poly-Poly电荷输运的影响，结果表明：氢键键长无序对其电荷输运有重要的影响，而螺旋角无序对其电荷输运影响不大。

As for HA series compounds, IHT barrier is linear to the change of H-bond length or O-H bond length.

HA模型化合物的IHT势垒与氧氢键键长变化和氢键键长变化呈良好的线性关系。

The length of certain bond and the number of conjugate double-bond affected OWF〓 greatly, OWF〓 changed linearly with the change of bond length (for planar azobenzene derivatives and cyanine derivatives) and the change of conjugate double-bond number (for conjugate alkene,β-carotene and lycopene).

3键长和共轭双键数对OWF〓有较大的影响，OWF〓随键长（如平面型的偶氮苯衍生物、菁类和氧杂菁类等）和双键数（如共轭烯烃类、β—胡萝卜素和番茄红素等）的变化而线性变化。

The length of certain bond and the number of conjugate double-bond affected OWFπ-π greatly, OWFπ-π changed linearly with the change of bond length (for planar azobenzene derivatives and cyanine derivatives) and the change of conjugate double-bond number (for conjugate alkene, p-carotene and lycopene).

3键长和共轭双键数对OWF_有较大的影响，OWF_随键长(如平面型的偶氮苯衍生物、菁类和氧杂菁类等)和双键数(如共轭烯烃类、β—胡萝卜素和番茄红素等)的变化而线性变化。

The result indicates that the hyperconjugation effect from lone pairs on nitrogen atoms to germinal N-N bonds can play an important role in the N-N bond length. The N-N bond length displays reverse dependence on the charge density in bond critical points obtained from AIM.

NBO分析表明N原子孤对电子到相邻的氮氮键的超共轭作用是影响氮氮键长变化的主要因素，AIM计算的氮氮键的键临界点电荷密度与键长呈反比关系。

The results show that the calculated cell parameters are in agreement with the experimental ones. The interactions between Li—N and Al—N are strong ionic bonds in Li3AlN2. The interaction between N and H is strong covalent bond and the interaction between Li and N is strong ionic bond in LiNH2. The calculated reaction enthalpies are 23.7 and 55.3 kJ/mol, respectively, which are in agreement with the experimental ones.

结果表明：Li3AlN2的Li—N、Al—N键主要为离子键，LiNH2的N—H键主要为共价键，Li—N键主要为离子键；298 K时贮氢反应的反应焓计算值分别为23.7和55.3 kJ/mol，与实验值均符合得较好；反应中各固态、气态物质的晶胞的结构优化后的晶格常数、键长与键角等与相应的实验值均符合较好。

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。

the title compound was synthesized and its structure was studied in theory.the schiff base compound was synthesized by condensation of paeonol with furylfurylamine,then it was deoxidized by sodium borohydried.the energies,bound lengths,bound angles,the net charges of main atom and contributive percents of frontier orbital in the title compound have been calculated by software hyperchem 7.0 in half experience method.the yield rate of title compound was 65.6%.the result of calculation showed that the most of the bond lengths and angles in the system were in the the normal range,negative charge mainly concentrate on o1,o2,o3 and n1.the title compound behaves as quadridentate ligand.

目的合成标题化合物并对其结构进行了理论研究。方法以丹皮酚和糠胺为原料合成席夫碱，经硼氢化钠还原得标题化合物；使用hyperchem7.0程序，用半经验方法计算了化合物分子中能量分布、主要键长、键角以及主要原子的净电荷分布和前言轨道分布。结果标题化合物，收率65.6%；计算结果分析表明，分子中主要原子之间的键长、键角基本在正常的范围内；负电荷主要集中于o1，o2，o3和n1上。

X-ray diffraction Rietveld refinement results indicate that La2Ni1- y Co y O4+δ compositions have an orthorhombic structure with Fmmm space group. The substitution of partial La3+ with Co at the B-site caused an increase in the length of Ni/Co—O1 bond in the ab plane and La/Sr—O2 bond along c axis.

研究结果表明， La2Ni1- y Co y O4+δ具有正交结构， Co离子取代增加了钙钛矿层中 ab 平面上Ni/Co—O键的键长、岩盐层中沿 c 轴方向上La—O键的键长和非化学计量氧含量，并有利于改善材料的烧结性能。

与键长相关的网络解释 [注：此内容来源于网络，仅供参考]

bond angle：键角

共用电子在混成轨道分布的情形决定了化学键的强度、键长(bond length)和键角(bond angle). 由於电子在混成轨道中最安稳,所以要把它们拆散,也就是要打断已形成之化学键,则需外加能量(加热!)才行. 要加多少能量才能把已成化学键的两个原子分开,

bond angle：键角(与同一原子连接的两个键之间的角度)

boiling point 沸点 | bond angle 键角(与同一原子连接的两个键之间的角度) | bond length 键长(分子中两个原子核间的平衡距离)

bond length：键长

共用电子在混成轨道分布的情形决定了化学键的强度、键长(bond length)和键角(bond angle). 由於电子在混成轨道中最安稳,所以要把它们拆散,也就是要打断已形成之化学键,则需外加能量(加热!)才行. 要加多少能量才能把已成化学键的两个原子分开,

bond length：键长(分子中两个原子核间的平衡距离)

bond angle 键角(与同一原子连接的两个键之间的角度) | bond length 键长(分子中两个原子核间的平衡距离) | bonding pair 成键电子对

bond length：键长本文来自:博研联盟论坛

93. Diatomic Molecules 双原子分子本文来自:博研联盟论坛 | 94. Bond Length 键长本文来自:博研联盟论坛 | 95. Bond Order 键级本文来自:博研联盟论坛

Set Bond Length：改变键长

+61. Sequence - 显示分子模型的序列 | +62. Set Bond Length - 改变键长 | +63. Shininess Control - 调整光度和亮度

effective bond length：有效键长

effective blood volume 有效血容量 | effective bond length 有效键长 | effective brake drum braking area 有效闸轮制动面积

bond valence bond length corre-lation：键长关联

bond valence 键价 | bond valence bond length corre-lation键长关联 | bone 骨,骨骼

Kirkwood-Risemen effective bond length","K-R：有效键长

"king roll","主辊" | "Kirkwood-Risemen effective bond length","K-R有效键长" | "kiss-roll coating","接触辊涂"

length, bond：键长

衰减长度 length, attenuation | 键长 length, bond | 爆丛长度 length, burst