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Corannulene-based fullerene fragments C20H10-C50H10: when does a buckybowl become a buckytube?

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Abstract.

An ab initio study of the structural and physical properties of fullerene fragments based on corannulene shows a distinct defining point between bowl and tube-like character.

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Authors and Affiliations

  1. San Diego Supercomputer Center, P.O. Box 85608, San Diego, CA 92186-9784, USA, , , , , , US

    Kim K. Baldridge

  2. Department of Chemistry, University of California-San Diego, La Jolla, CA 92093-0358, USA, , , , , , US

    Jay S. Siegel

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  1. Kim K. Baldridge
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  2. Jay S. Siegel
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Received: 14 February 1997 / Accepted: 6 May 1997

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Baldridge, K., Siegel, J. Corannulene-based fullerene fragments C20H10-C50H10: when does a buckybowl become a buckytube?. Theor Chem Acta 97, 67–71 (1997). https://doi.org/10.1007/s002140050238

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  • DOI: https://doi.org/10.1007/s002140050238

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