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b bond
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  “b bond”译为未确定词的双语例句
     The molecular interaction energy orthogonality decomposition method has been presented which is based on expanding the wavefunction of combined reactants A and B in a series of selected electronic configuration wavefunctions of the product AB.A quantitative estimate of the relative importance of σ and π bond in A—B bond has been obtained.
     对反应A+B=AB,将反应物A+B的波函数用生成物AB的组态波函数正交展开,可以得到AB键形成时σ键和π键所占的比例,从而提供了一种研究分子间相互作用本质的半定量方法。
短句来源
     The results showed that in unit cell of TiB 2 and ZrB 2 phases, the strongest bond is B—B bond(A bond), whose length is 3a/3, the valence electron number of the strongest bond has strong influence on the hardness of TiB 2 and ZrB 2 phases.
     结果表明 :TiB2 和ZrB2 相是靠键距为 3a/3的B—B最强键连接的 ,该键上的共价电子数影响化合物的硬度。
短句来源
     Quantum Chemical calculations at high level were performed for the series of NiB M (N) (M=1?4) molecule with different multiplicity. B? B bond was found to strengthen with the increasing of number of B atom.
     用DFT方法对原子簇NiBM(M=1 -4 )不同多重度的各种构型进行高水平的量子化学计算 ,发现随B原子的增加B原子之间的成键增强 ,Ni B键 ,B B键均对NiB2 ( 3 ) ,NiB3( 2 ) 和NiB4 ( 1) 分子的稳定性有很大贡献 .
短句来源
     This paper deals with another coordinating compounds with N→B bond, known as boratrane.
     化合物(1)的制备已有报导,而化合物(2),(3)则为新的化合物。
短句来源
     According to solid and molecular empirical electron theory the valence electron structure of ZrC, ZrN and ZrB 2 phases are calculated by bond length difference(BLD) method. The magnitude of the covalent number n A on the strongest chemical bond in ZrC, ZrN and ZrB 2 crystals and chemical bond energy E are in agreement with that of the hardness and melting point. ZrB 2 has strong atom layer due to certain covalence electron number on Zr—B bond and special bond net feature.
     根据固体与分子经验电子理论 ,通过键距差 (BLD)方法 ,对ZrC ,ZrN和ZrB2 相的价电子结构进行了计算 :ZrC ,ZrN ,ZrB2 晶体中最强键上的共价数nA 和键能E的大小与硬度、熔点的高低是一致的 ,而ZrB2 具有强的层间结合是因Zr—B键仍具有一定的共价电子数及独特键络特征的结果。
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  相似匹配句对
     Bond and Life
     债券人生
短句来源
     the stretching vibration v(C-C) of C-C bond ;
     C-C键的伸缩振动v(C-C);
短句来源
     Bond and Life
     债券人生
短句来源
     Bond issue speed
     债券市场发行提速
短句来源
     the stretching vibration v(C-C) of C-C bond ;
     C-C键的伸缩振动v(C-C);
短句来源
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  b bond
This leads to new complexes with a cisoidor transoid geometry (orientation of the E-C=C unit with respect to the C(1)-B bond).
      
2,5-Diphenyl-4,6-di-R-1,3,2,5-dioxaboraphosphorinanes give borane complexes with a P→B bond.
      
Unusual polarity of the P → B bond in CIS-1.2-phosphaboroethenes
      
The types of association complexes considered are AnBm and AnB with a single A-B bond each.
      
The C(6b)-C(8a) bond in I is lengthened to 1.603(3) ?, and the C(2a)-C(10b) bond in II is prolonged to 1.589(6) ?.
      
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The synthesis and chemical reactions of various silatranes have been reported. This paper deals with another coordinating compounds with N→B bond, known as boratrane. The preparation and chemical stability of these compounds are discussed. They were synthesized according to the following equation:

本文报导了具有N→B配位键的2,8,9-三氧杂-5-氮杂-1-硼杂双环[3,3,3]十一碳烷的合成及性质。化合物(1)的制备已有报导,而化合物(2),(3)则为新的化合物。我们研究了它们的成环条件,制备的最佳条件及化学稳定性。

The electronic structures of the black Roussinate anion, the model compound of the Fuzhou model-I (the "String bag cluster model") of the active center of nitrogenase, and its"cluster fragments", the red Roussinate dianion, have been calculated by using the close shell ONDO/2 (S, D scheme) method. From the analyses of the bonding properties on the basis of Mulliken populations, charge densities, MO energies and MO characters, the following results have been revealed. The intensive electron delocalization has...

The electronic structures of the black Roussinate anion, the model compound of the Fuzhou model-I (the "String bag cluster model") of the active center of nitrogenase, and its"cluster fragments", the red Roussinate dianion, have been calculated by using the close shell ONDO/2 (S, D scheme) method. From the analyses of the bonding properties on the basis of Mulliken populations, charge densities, MO energies and MO characters, the following results have been revealed. The intensive electron delocalization has been found in these two clusters. In the process of electronic transfer from the red Roussinate to the black Roussinate, the bridging sulfur (S_b) is the electron donor. There exists a certain degree of M-M bonding in these two clusters, the strength of M-M bond is near to that of M-S_b bond; the chief contribution to these bonds is the interaction between the s, p, and d_(z~2) orbitals on the metal atoms and the s and p_z orbitals on the sulfur atoms. The contribution of the π interaction between the d orbitals on the metal atoms to the bonding of the cluster skeleton is quite small.

Roussin黑盐簇阴离子及其“元件化合物”Roussin红盐簇阴离子,是固氮酶活性中心福州模型I(网兜状原子簇模型)的模型物。本文用闭壳层CNDO/2(S,D方案)法计算了它们的电子结构。根据计算所得的Mulliken重叠集居,电荷密度,分子轨道能量和轨道特征等数据,对成键性质进行了分析,得出如下主要结论:两种簇阴离子骨架电子的非定域性都比较强,桥硫原子S_b在由红盐形成黑盐的电子转移过程中起施主作用,两种簇阴离子中都存在M-M键,强度与M-S_b键相近,其主要贡献都来源于金属的s,p_,d_,轨道与硫原子的s,p_z轨道之间的σ作用,金属d轨道的π作用对整个骨架的成键贡献很小。

We have investigated into the effect of atoms that bond with each other on the rule of variation in chemical bond length, and put forth the weight method that is widely adopted to calculating thesingle cov- alent bond length between non-metal elements, atom's interval of non- metal and metal in organic crystal, A-B bond length of AB_3 molecules whieh contains π_4~6 bond. The paper respectively demonstrates thrre ca- lculating formulas of chemical bond which are of the same...

We have investigated into the effect of atoms that bond with each other on the rule of variation in chemical bond length, and put forth the weight method that is widely adopted to calculating thesingle cov- alent bond length between non-metal elements, atom's interval of non- metal and metal in organic crystal, A-B bond length of AB_3 molecules whieh contains π_4~6 bond. The paper respectively demonstrates thrre ca- lculating formulas of chemical bond which are of the same fundamental terms and different corrective terms. The former shows the common characterastic of chemical bonds, and the latter points out different property. According to these formulas, We calculate 255 kinds of chemical bonds, and the mean error between the results of experiment and calculation is within 0. 05A. The paper also exploit the physical implic- ation of these formulas, and explain why the property of electrons used to bond two atoms can influence the π_4~6 bond.

本文对非金属元素之间的共价单键、无机晶体中金属-非金属原子间距以及含有π_4~6键的AB_3型分子的A-B间距分别提出了相应的键长公式。这三个键长公式含有相同的基本项和不同的校正项,前者反映了键的共性,后者则是个性的表现。利用这些公式对255种键长的计算结果与实验值的平均偏差在0.05A以内。该文对键长公式做了物理注释,探讨了成键原子价电子的性质对π_4~6键的影响。

 
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