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.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1021/ci020070k | DOI Listing |
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!