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See who in the world likes fullerenes:
The fullerene geometries are based on structures in the Fullerene Library that has been created by M. Yoshida. The geometries have been reoptimized using a fast Dreiding-like forcefield that is built into the free Discovery Studio Visualizer. The numbering scheme of fullerene isomers seems to agree with that used in the monograph "An atlas of fullerenes" by P. W. Fowler and D. E. Manolopoulos.
The curvature energy is an estimate of the formation energy of the particular isomer with respect to graphite. This estimate, provided by Jie Guan, is based on local curvature, as defined in the publication by Jie Guan, Zhongqi Jin, Zhen Zhu, Chern Chuang, Bih-Yaw Jin, and David Tománek, entitled Local Curvature and Stability of Two-Dimensional Systems, Phys. Rev. B 90, 245403 (2014).
The web resource at https://nanoten.com/science/fullerene/fullerene-isomers.html has been provided by David Tomanek and Nick Frederick at the Michigan State University Computational Nanotechnology Lab. It is linked to the Supplementary Information provided with the monograph Guide through the Nanocarbon Jungle: Buckyballs, Nanotubes, Graphene, and Beyond.
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Last update:
2020.07.21 (Tuesday) 10:38:26 EDT.
Web page constructed and maintained by
Nick Frederick.