izvor podataka: crosbi
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Shape Analysis of Polyhex Carbon Nanotubes and Nanotori (CROSBI ID 162672)
Prilog u časopisu | izvorni znanstveni rad
Graovac, Ante ; Laszlo, Istvan ; Pisanski, Tomaž ; Plavšić, Dejan
Shape Analysis of Polyhex Carbon Nanotubes and Nanotori // International journal of chemical modeling, 1 (2008), 3/4; 355-362
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Graovac, Ante ; Laszlo, Istvan ; Pisanski, Tomaž ; Plavšić, Dejan
engleski
Shape Analysis of Polyhex Carbon Nanotubes and Nanotori
We applied shape analysis to nanotubes and nanotori by using the eigenvectors of their Laplacian matrices. The X, Y, Z Descartes coordinates of the atoms were calculated as linear combinations of these eigenvectors. We have found partial sums that produced satisfactory coordinates which can be used then as initial coordinates in molecular mechanics calculations of nanotubes and nanotori.
nanotubes ; nanotori ; carbon ; polyhex ; shape ; Laplacian matrix
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