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   负离子分子 的翻译结果: 查询用时:0.151秒
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负离子分子
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  “负离子分子”译为未确定词的双语例句
     We acquired nine P 5 +, P 5 - and P 5 isomers with molecular graphics and then carried out the optimizations with molecular mechanics, PM3 semi empirical and ADF density functional calculations.
     使用分子图形学方法设计出 9种可能的同分异构体 ,对其中性及正负离子分子进行了分子力学、PM3半经验量子化学和 ADF密度泛函优化。
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     10 ?
     分子
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     The QCI Potential Energy Curves of Several Molecules and Anions
     几个分子负离子的QCI势能曲线
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     Pseudoendotyra.
     Pseudoendotyra分子.
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     Determination of Salty Drug's Relative Molecular Mass by Negative ESI
     负离子ESI测定完整盐类药物的相对分子质量
     Functional anion textile
     负离子功能纺织品
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For the sake of collecting smoke particles in chimney, an experiment of small particles in strong electrostatic field is reported. Three stages, i.e. the production of corona, the formatin of negative ions and the negatively charged molecules are described and discussed.

对中性介质微粒在电场中荷电的物理过程进行了探索,对其电晕的产生、负离子分子的形成和介质微粒的荷电三个子过程的机理进行了描述;结合实验教学中几个重要问题建立了实验控制模型.

A number of DFT methods were used to calculate the geometry, electronic structure, IR and thermodynamic properties of tetrazolate ion. Comparisons were made between the DFT computed results and the MP2 ab initio ones. Compared with the ab initio results, it was found that the hybrid DFT method: B3LYP, has the best performance in calculating all these properties than the other DFT methods. Therefore, it can be used for systematic investigation of tetrazole derivatives and their complexes.

运用多种密度泛函理论(DFT)方法和从头算(abinitio)方法研究了四唑负离子的分子几何、电子结构、红外光谱和热力学性质.结果表明,B3LYP-DFT法与MP2-abinitio法计算结果较吻合,故可用于对四唑衍生物及其配合物的系统研究

In the study of cationic phosphorus clusters produced in direct laser vaporization, it has been observed that P 5 + and P 5 - show the higher intensity in the mass spectrum. We acquired nine P 5 +, P 5 - and P 5 isomers with molecular graphics and then carried out the optimizations with molecular mechanics, PM3 semi empirical and ADF density functional calculations. In these isomers, the phosphorus atoms could be in two fold, three fold, four fold. According to bonding energies, the most stable...

In the study of cationic phosphorus clusters produced in direct laser vaporization, it has been observed that P 5 + and P 5 - show the higher intensity in the mass spectrum. We acquired nine P 5 +, P 5 - and P 5 isomers with molecular graphics and then carried out the optimizations with molecular mechanics, PM3 semi empirical and ADF density functional calculations. In these isomers, the phosphorus atoms could be in two fold, three fold, four fold. According to bonding energies, the most stable P 5 + has the square pyramidal structure. The planar pentagon configuration of P 5 - has the lowest bonding energy. P 5 derived from the most stable P 4 by adding a twofold phosphorus atom has the most stable structure.

由激光产生的磷原子团簇正离子的质谱图中呈现很强的 P5+和 P5- 谱峰。使用分子图形学方法设计出 9种可能的同分异构体 ,对其中性及正负离子分子进行了分子力学、PM3半经验量子化学和 ADF密度泛函优化。在磷原子团簇模型中 ,磷原子采用 2、3或 4配位方式成键。从各异构体成键能量的比较可得知 ,最稳定的 P5+构型是四方锥的结构 ,最稳定的 P5-构型是平面五边形的结构 ,而最稳定的 P5构型是在最稳定的 P4的增加一个 2配位原子所生成的结构

 
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