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Peter Schwerdtfeger, Lukas Wirz and James Avery Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes Journal of Computational Chemistry 34

Version of Record online: 4 APR 2013 | DOI: 10.1002/jcc.23278

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Fullerene is an open-source, general-purpose program that constructs any fullerene graph, performs topological and physical analyses, and creates accurate 3D fullerene structures through graph theoretical methods and force field optimizations. It allows for Goldberg–Coxeter transformations, vertex insertions, and Stone–Wales transformations.

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