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富勒烯

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Fullerene, the third carbon allotrope besides graphite and diamond, was discovered by Kroto et al. in 1985. Since then, the studies of fullerenes has become the worldwide hot topic and significant progresses in many fields have been achieved.

富勒烯为除金刚石和石墨外碳元素的第三种同素异形体,自Kroto等1985年发现以来,对富勒烯的研究一直是世界性的热点话题,并在多个方面取得重要进展。

Excited triplet state of [60]fullerene containing piperidinoxanthate dyad is at 690nm, which has lifetime of 23.7xs in Ar-saturated benzonitrile, whereas that ofparent C60 is at 750nm, with lifetime of 50s, indicating that excited triplet state of

富勒烯C_(60)哌啶黄原酸酯稠合体激发三线态的最大吸收峰在690nm,相对于纯C_(60)发生蓝移用532nm激光激发后,富勒烯C_(60)哌啶黄原酸酯稠合体激发三线态的最大吸收峰在690nm,相对于C_(60)的750nm发生蓝移,在氩气饱和的苯腈中寿命23.7μs,比C_(60)的55μs短,表明环加成反应连接的哌啶黄原酸酯部分具有吸电子性质。

The properties of C_(60) colloid and nanoparticles were characterized by UV-vis spectra and TEM.

结果表明在相同油水配比条件下,改变超声波输出功率可以调节[60]富勒烯水溶胶的浓度,并控制[60]富勒烯纳米粒子的直径。

The study of natural Fullerenes is a new study field of intercross of Fullerenes science and geological science.

天然富勒烯的研究是富勒烯科学和地质科学相交叉的一个新兴的研究领域,是当前的研究热点之一。

The smaller fullerenes C2n (2n 60) violating IPR, inevitable suffer large strain energies and show high lability. Besides that, quasi-fullerenes violating the classical definition, contain rings of other size, for example 4 or 7, are expected to suffer extra local strain or/and further loss ofπdelocalization, and thus highly unstable.

碳原子数少于60的小富勒烯,和结构中含有除五元环、六元环之外的其他结构的准富勒烯,由于不满足IPR规则,结构中必然存在较大的张力,因此具有较高的化学活性,难以在实验中合成和分离。

According to the point group symmetry,we introduce the quantity,representative patch,to represent the smallest equivalent patch on the surface offullerenes.

根据富勒烯的点群对称性,提出了代表区这一概念,用它来表示富勒烯多面体的表面上的最小等价块。

It was proposed that the interaction between the positively charged nitrogen atom in the pyrrolidine ring and gold nanoparticles was the main driving force for the formation of C〓-pyrrolidine-Au assemblies.

我们进行了对比实验详细讨论了组装纳米体系的形成机理:在富勒烯-金纳米组装体系中,带正电荷的氮原子同Au纳米粒子间的作用是稳定Au纳米粒子形成富勒烯-金纳米组装体系的主要驱动力。

In Chapter 4,the site-symmetry projector is constructed to produce thecomplete symmetry-adapted orbitals.Based on this,we deduce the energy equationcontaining all the interactions of〓orbitals,the H〓ckel model secular equation,andthe energy expression containing the second neighbor hopping.Also we discuss theeffect of the second neighbor hopping on the electronic structures and properties offullerenes.

第四章阐述与位置对称性有关的投影算子的构造及其在处理富勒烯的π电子结构中的应用,导出了π轨道的所有相互作用都包括在内的能量本征方程,一极近似下的久期方程,和二级近似(考虑π轨道的次邻接相互作用)下的能量表达式,并且一般性地讨论了次邻接相互作用在富勒烯的电子结构和性质中的作用。

A novel butterfly-shaped fullerene-diporphyrin triad was designed and synthesized,in which 〓 is in the mid of two porphyrin rings and this structure feature enables it to be apotential candidate for the manufacture of Gr〓tzel solar cell and unimolecular logicalcircuit.

设计并合成了一个新的蝴蝶形富勒烯-双卟啉三元分子并确定了结构,两个卟啉环将〓夹在中间,这样的结构有利于探索增加电子/能量给体数目对电荷/能量向富勒烯传递速率的影响,并且这个分子可望被用于太阳能电池制造和单分子逻辑电路的设计上。

To attaining longlived charge separated states, the new compounds 7 and 8 of C60-S-2-thioxo-1, 3-dithioles derivatives were synthesized by Diels-Alder cycloaddition reaction. The structures generated by AM1 were used as the initial configurations for the density functional optimization at the B3LYP/3-21G level for all carbon and sulfur clusters, and some geometry conformation indexes were obtained. We found that C60 has been half-packed by the curved 2-thioxo-1, 3-dithioles derivatives.

为了获得具有长寿命电荷分离态的[60]富勒烯-富硫衍生物有机功能分子,我们设计了用单键硫桥键联[60]富勒烯和硫酮衍生物的分子7和8,用半经验AM1方法得出最低能量的几何结构,在此基础上用密度泛函 B3LYP/3-21G方法,对其进行计算,得出电子相关的优化参数,预测其稳定性。

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