环面管和单壁管的能量稳定性

M. Diudea, E. C. Kirby
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引用次数: 34

摘要

这里由方形平铺格子生成的曲面环面与圆柱体和盖管密切相关。这种构造它们的方法使得它们的键的方向,以及环面的几何比例,可以为分子力学计算指定,并且随着它们转变为盖管,这是根据它们的能量稳定性来说明和讨论的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
THE ENERGETIC STABILITY OF TORI AND SINGLE-WALL TUBES
Tessellated tori, generated here from square-like tiled lattices, are closely related to cylinders and capped tubes. This way of building them enables the orientation of their bonds, and so the geometric proportions of the torus, to be specified for molecular mechanics calculations and, along with their transformation into capped tubes this is illustrated and discussed in the light of their energetic stability.
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