engleski

Application of graph drawing algorithms to molecular geometry determination

Various methods to draw graphs are described and applied to geometry determination of fullerenes, torusenes and similar pure carbon cages. A special attention is paid to the Nice Graph and Adjacency Matrix Eigenvectors (AME) methods.

graph drawing algorithms; NiceGraph program; Adjacency Matrix Eigenvectors (AME) method; geometries of fullerenes and torusenes

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