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首页> 外文期刊>International Journal of Quantum Chemistry >Construction and utilisation of planar graphs of two series of IPR fullerenes through the use of threefold rotational symmetry
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Construction and utilisation of planar graphs of two series of IPR fullerenes through the use of threefold rotational symmetry

机译:通过三重旋转对称性构建和利用两个IPR富勒烯系列平面图

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摘要

Threefold rotational symmetry has been used to develop an algorithm for the construction of planar graphs of IPR fullerenes and to factorize their characteristic polynomials. Two series of fullerenes of the formula C60+12n and C60+18n have thus been obtained. The algorithm has been shown to be useful for predicting the nature of variation of the point groups of the fullerenes with increased n, for counting the number of C-13 nuclear magnetic resonance (NMR) signals (along with their relative intensities), and also for obtaining a large part of their eigenspectra. (c) 2005 Wiley Periodicals, Inc.
机译:三重旋转对称性已用于开发构建IPR富勒烯平面图的算法,并分解其特征多项式。因此获得了两个系列的式C60 + 12n和C60 + 18n的富勒烯。该算法已被证明可用于预测富勒烯点组随n的增加而变化的性质,可用于计算C-13核磁共振(NMR)信号的数量(及其相对强度),以及获得大部分本征光谱。 (c)2005年Wiley Periodicals,Inc.

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