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A systematic quantum chemical characterization of intrinsic structure, energies and spectral properties of all the studied cross-link adducts formed by the novel trans platinum with thiazole ligand has been carried out at B3LYP/6-31G^* level of theory with the Lanl2dz pseudo potential basis set for the Pt atom. Special attention has been paid to the relative stability of these complexes and the factors that probably alter the order of the relative stability. The important influence of hydrogen bond on the structures, the energies and the spectral property was revealed. Other factors that contribute to relative stability including solvation effect, entropy and electronic delocalization energy were taken into account. The stability energy of the whole complex, and the interaction energy between two purine bases and the [Pt-(NH3)thiazole]^2+ group were adopted to study the interplay among subsystems and their contribution to relative stability of all the studied cross-link model. Finally, basic spectral properties of these complexes including H(8) chemical shifts of all the studied complexes and the VCD (vibrational circular dichroism) spectra of two pairs of GG chelate enantiomers, were provided in order to define the structure of the most possible duplex bearing novel trans platinum drug lesions. 相似文献
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初中物理“通电直导线在磁场中受力”演示,由于直导线与导轨间的摩擦,其效果较差.有人用矩形线圈代替直导线,受力效果较明显,但初学者难于理解.现将此实验改进如下.1)在牙膏皮上剪下约9cm长4cm宽的长方形铝片,内表面向外,利用铅笔在水平桌面上卷成一个金属圆筒(卷时要用力,沿一个方向进行).2)将四个长8cm左右的钉子钉在长方形木块(150cm×8cm×60cm)的四个角上,铁钉露出木块的高度均约为5cm.3)将两根长20cm左右的铜丝用砂纸打磨干净,两端平行固定在铁钉上,张紧铜丝,制成两个金属导轨.4)用砂纸将铝筒外表面打磨干净,按原教材要求连接电路,闭… 相似文献
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首先,应该指出的是,在高一直线运动的教学中,物理通报所给与我的启示和帮助是很大的。我从孙念台等先生所写的“高中一年级上学期教材计划”和雷树人先生所写的“在高一直线运动的教学中的几个问题”两文中体会和联想到不少问题。在我把这些体会运用到实际教学中去时,我自己觉得在上述课题的讲述中,我是前进了一大步。因此,我这篇短文也 相似文献
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