The geometric structure of deformed nanotubes and the topological coordinates

被引：33
|
作者：
László, I
Rassat, A
机构：
[1] Budapest Univ Technol & Econ, Inst Phys, Dept Theoret Phys, H-1521 Budapest, Hungary
[2] Ecole Normale Super, Dept Chim, F-75231 Paris 05, France
来源：
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2003年 / 43卷 / 02期
关键词：
D O I：
10.1021/ci020070k
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
After summarizing the harmonic approach to topological coordinates and the null space embedding of graphs, three-coordinated tiling of the plane by hexagons, pentagons, and heptagons are presented and used for the construction of tubular, toroidal, and helical carbon structures. Physically realistic 3D geometries are formed from the corresponding adjacency matrices, and the final structure was obtained with the help of Brenner-potential based molecular mechanics methods.
引用
收藏
页码：519 / 524
页数：6
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