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- Relationship between the impact sensitivities and bond order of C-NO2 for TATB and its derivatives[J].Chin.J.Mol.Sci., 2003, 19: 64. TATB及其衍生物的撞击感度与C-NO2键级的关系[J].;分子科学学报;2003;19:64
- Our results show that the ground state when including the diagonal and off-diagonal coupling at the same time, is coexisting charge density wave (CDW) with bond order wave (BOW). 结果表明;当同时包括对角和非对角耦合时;这种物质的基态将是电荷密度波(CDW)和键序波(BOW)共存;而以前的研究者都认为在这种物质中只存在电荷密度波(CDW).
- The ab inito Confirmation of "the Principle of the Smallest Bond Order"-Nitro Derivatives of Benzene and Aminobenzene[J].Chin.J.Chem.Phys., 2003,16:337. "最小键级原理"的从头算证实-苯和苯胺类硝基衍生物[J].;化学物理学报;2003;16:337
- In contrast to the polyacetylene, where the bond order wave exists well in arbitrary coupling, the effect of the quantum fluctuation on CDW of MX solid distinctly depends on the coupling. 对聚乙炔,无论电-声耦合作用强弱,键序波(BOW)总存在。 而对MX络合物,计算表明,量子起伏对CDW的削弱作用依赖于电-声耦合作用的强弱。
- In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained. 用AM1方法全优化计算了亮氨酸及其热分解中间产物、产物分子的几何构型,得到其总能量、键级等数据。
- A KIND OF METHOD OF BOND ORDER POPULATION ANALYSIS 键级布居分析的一种方法
- Keywords aromaticity;judgement;bond order; 芳香性;键级;判别;
- On the basis of optimized geometries,the charge densities,spin density,bond orders and electronic spectra of above molecule and cation have been calculated. 以优化构型为基础计算其电荷密度、自旋密度、键序和电子光谱。
- In order not to be late, she cut across the fields. 为了不迟到,她抄近路穿过田野。
- We started early in order to arrive before dark. 为了在天黑前到达,我们很早就动身了。
- You need a strong adhesive to bond wood to metal. 需要强力胶才能把木料粘在金属上。
- This glue makes a good firm bond. 这种胶水粘得很结实。
- Common tastes form a bond between the two men. 共同的爱好使两人结交为朋友。
- Can you cash this postal order for me now? 你现在能帮我兑现这张邮政汇票吗?
- Give me an order of chicken curry. 给我来一份咖喱鸡。
- In this paper,several bond orders have been described again by means of separating, thus the source of bond orders and bonding can be analysed from MO and AO. 本文用分割的方法对几种键级进行了重新的描述,从而可从分子轨道(MO)和原子轨道(AO)的角度来分析键级的来源和成键情况。
- As a lightweight his skill is of the highest order. 作为轻量级拳击手,他的技术是第一流的。
- The bond that binds the smugglers together is a rope of sand. 把走私犯联接起来的是条沙做的绳子,一碰就碎。
- I'd like to place an order for some tea with you. 我想从贵公司订购一些茶叶。
- You must arrange these books in alphabetical order. 你要把这些书按字母顺序排好。