The Generation of Fullerenes

The Generation of Fullerenes

We describe an efficient new algorithm for the generation of fullerenes. Our implementation of this algorithm is more than 3.5 times faster than the previously fastest generator for fullerenes - fullgen - and the first program since fullgen to be useful for more than 100 vertices. We also note a programming error in fullgen that caused problems for 136 or more vertices. We tabulate the numbers ...

Recursive generation of IPR fullerenes

We describe a new construction algorithm for the recursive generation of all non-isomorphic IPR fullerenes. Unlike previous algorithms, the new algorithm stays entirely within the class of IPR fullerenes, that is: every IPR fullerene is constructed by expanding a smaller IPR fullerene unless it belongs to a limited class of irreducible IPR fullerenes that can easily be made separately. The clas...

Generation of Fullerenes by Circumscribing

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

On the Partially Random Generation of Fullerenes

High-order harmonic generation in fullerenes with icosahedral symmetry

We investigate high-order harmonic generation in a sequence of icosahedral fullerenes using the extension of the so-called three-step or Lewenstein model to the molecular case. The high harmonic spectra obtained at midinfrared wavelengths show modulations in the plateau region. These modulations are due to the coherent superposition of the contributions from the atomic centers in the molecule t...