• So, for example, down here I wrote that it was n 2 and that it was h 2, but when I re-wrote the molecules up here, you saw that it's an h h single bond where it's a nitrogen-nitrogen triple bond.

    比如,在这下面分子2,而这个分子,我在上面这些分子的形式改写了,大家可以看到,个氢与氢之间的单键,含一个氮与氮之间的键。

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  • The bond characteristics and charge transfer in the V-N-vacancy complex are analyzed.

    分析了V - N -空位复合体成键特性电荷转移情况。

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  • Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.

    参与新形成旧键断裂原子C1),H11),O28),O(29)和N27原子自然电荷与其相关、键明显变化

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  • The compounds play a favourable role in the auxoaction for the bond formation of C-C and C-N.

    将该肟膦化合物用作配体,可分别C-CC-N形成起到好的促进作用

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  • Presented in Chapter 2 are the experimental details on synthesis of the bicyclic heterocycles bearing an N-O bond.

    本论文有关合成n - O键双环环化合物实验结果收录第二

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  • All transition states, activation energies and potential curves of four possible reaction paths were obtained. It was found that the homolysis of n-no2 bond in five-membered ring is the initial step.

    求得可能四种不同热解反应通道过渡活化能位能曲线发现其热解引发步骤五元上侧链n—NO2的均裂。

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  • Schiff base is the Types of organic compounds which contain C-N double bond of the imine or azomethine group characteristics. the early research focus on Amine Schiff base reduction.

    席夫碱主要含有碳氮双键甲亚胺特性基团一类有机化合物早期研究一般为缩类席夫碱。

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  • The intra-molecule hydrogen bond between atom N and H was found.

    分子还存在着NH原子的分子内氢键

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  • To explore the role of the bridged N atom for a possible proton transfer in the active site of hydrogenase, we tried to introduce a hydrogen bond into a couple of designed molecules.

    研究氢化活性中心桥结构原子是否起到质子摆渡作用设计了在分子引入氢键的结构。

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  • By using the inductive effect index I as a characteristic bond-parameter, a formula is given describing the relation between the structure of N-nitrosamines and its acute toxicity.

    亚硝胺类化合物结构毒性之间存在着一定的相互关系。诱导效应指数I作为结构特征键参数可以得到烷基亚硝安的结构与毒性的定量关系。

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  • Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.

    利用分子轨道从头理论密度泛函理论结合不同理论对于N - H…O蓝移氢键进行详细研究

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  • H atom of phenolic hydroxyl in the ligand was attractive to N atom forming intramolecular hydrogen bond, and a new six-membered ring was formed by the hydrogen bond connection.

    羟基上H原子N原子相吸形成了分子氢键氢键连接构成一个六元

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  • H atom of phenolic hydroxyl in the ligand was attractive to N atom forming intramolecular hydrogen bond, and a new six-membered ring was formed by the hydrogen bond connection.

    羟基上H原子N原子相吸形成了分子氢键氢键连接构成一个六元

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