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- total bond order integral 键级积分
- total bond order 总键级
- 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。
- 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。
- For the bond component, pick a fund such as the Fidelity Total Bond fund that largely owns high-grade, intermediate-term corporate bonds and mortgages, along with government and agency debt. 债券部分可以选择一支基金，比如富达债券总指数基金，该基金持有高等级中期企业债券、抵押贷款及政府和政府机构债务。
- A KIND OF METHOD OF BOND ORDER POPULATION ANALYSIS 键级布居分析的一种方法
- 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。
- Keywords aromaticity;judgement;bond order; 芳香性;键级;判别;
- A professional supplier of adhesives, sealants，chemic material a n d relevant equipments, WATAI is dedicated to providing total bonding a n d adhesion solutions to many industries. 上海瓦太经贸有限公司是专业的胶粘剂、化学材料和相关使用设备的供应商。
- The mass rally was a total fiasco. 那次群众集会彻底失败。
- I must say the news comes as a total surprise. 我得说这个消息来得太突然了。
- Ten years was the sum total of my education. 我受教育的年限加起来共十年。
- My small contribution was lost in the grand total. 我的小小捐献在巨大的总额中小得几乎看不见。
- The ship was wrecked and became a total loss. 船只失事，一切都损失了。
- 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。
- He swings from wild optimism to total despair. 他由极其乐观一变而为完全绝望。
- The angles of a triangle total 180. 三角形的三角之和等于180°。
