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Toroidal and spherical fullerene‐like molecules with only pentagonal and heptagonal faces
Author(s) -
László István,
Rassat André
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.1315
Subject(s) - torus , toroid , fullerene , molecule , molecular physics , carbon fibers , chemistry , crystallography , physics , computational chemistry , materials science , geometry , mathematics , quantum mechanics , plasma , composite number , composite material
The stability of toroidal and spherical carbon cage structures, constructed from five‐ and seven‐membered rings, was studied using tight binding, Tersoff and Brenner potential based methods. A special tiling is presented for the torus of minimal strain energy. In order to make comparison between the results of various calculations we defined the σ AB square root average bond distance difference between the methods A and B. By addition of six‐membered rings to the C 40 torus we obtained a toroidal C 60 carbon cage molecule. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 84: 136–139, 2001
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