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The geometry of small fullerene cages: C20 to C70 (1992)

Zhang, B. L. ; Wang, C. Z. ; Ho, K. M. ; [et al.]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 97 (1992), S. 5007-5011

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The ground-state structures of small fullerenes below C70 were determined by tight-binding molecular-dynamics total energy optimization. An efficient simulated annealing scheme was used to generate closed, hollow, spheroidal cage structures for all even-numbered carbon clusters from C20 to C70. As a general trend, fullerenes prefer geometries which separate the pentagonal rings as far apart as possible. Except for C60, C70, and C50, most fullerenes have relatively low symmetries.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.463854

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