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原子间距离

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The combination energy includes hydrogen bond energy and electrostatic energy of ionic-pair,and contribution of the later is main.

分析晶胞发现每一个晶胞包含四个EM IM+/C l-离子对,测定咪唑环上C2和C l原子的距离为0.355 nm,认为C2-H…C l间形成了氢键。

The structures and stabilities of the ground-states for Cu13-nAgn clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1~10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers.

在混合团簇基态结构优化的遗传算法方案中增加了交换算子,结合Gupta紧束缚模型势研究了Cu13-nAgn团簇的最低能量结构,选择合适的交换和杂交概率,可有效地提高优化效率,优化结果表明,Cu13和Ag13是全对称的二十面体,n=1~10的混合团簇能形成稳定结构,其构型是在二十面体基础上发生畸变,Cu原子趋于处在团簇中心,随着Ag原子数目的增加,原子间的平均距离单调增加,团簇的结合能单调减小,Cu2Ag12和CuAg12只存在亚稳结构。

Meanwhile, the isomer with a larger change of dipole moment has larger value of the first hyperpolarizability during the charge-transfer process.

5, 6, 7顶点双取代碳硼烷桥连分子受推拉电子基的影响,5, 6, 7顶点碳硼烷的构型发生一定变化,碳硼烷中两个C原子间的距离变长;同时碳硼烷中两个C原子取代位置的不同,影响了分子的稳定性和极化率,取代基团与碳硼烷中成键数较低的C原子相连的异构体,稳定性较好且具有大的极化率; 5,6,7顶点双取代碳硼烷桥连分子形成一维结构有利于分子内电荷转移,在电荷转移过程中偶极矩变化较大的体系,其二阶NLO系数也较大。

Owing to the action of space separation in inclusion compound and the solvationof water for isolating the charge in ion pair, the lifetime of C〓 anion radical inaqueous system was obviously longer than that in organic solvents.

对同种胶束,给体分子的取代烃链越长,意味着其疏水性增加,导致给体端N原子与C〓分子间距离缩短,从而降低了阴离子自由基的寿命。

It is still used occasionally for measurements of wavelength or interatomic distance.

千分之一微米,十分之一纳米)现在仍被用来测量波长和原子间的距离。

The result shows that in the amorphous material along with the increasing of the interatomic distance to the chosen origin, and the correlation will weaken rapidly. When they apart several interatomic distances, there is no correlation, the relatively position approaches completely disorder.

计算结果表明,在非晶态材料中随着与选作原点的原子间距离的增加,相关性就迅速减弱,在相距几个原子间距的原子之间就显不出相关作用,其相对位置接近完全无序。

We show that the atomic c.m motion dont affect the atomic spectrum phase sensitivity when there is no correlation between atomic cm. motion and the field. With the increase of the average energy for atomic cm. motion, the peaks of the emission spectrum move towards each other, their heights change according to the state of the field and atomic motion. While there is correlation between atomic c.m.

当原子质心运动与光场无关联时,原子质心运动不影响原子发射谱对原子偶极矩和光场相对相位的敏感性,随着原子质心运动平均能量的增加,原子发射谱峰间的相对距离变小,峰高的变化与原子质心运动和光场所处的状态有关。

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歌手leona刘易斯和前率领的飞艇的吉他手吉米页出现巴士转化为基层所涵盖的嘉年华花车,和一双合并为一移交&整个lotta爱&。

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