Shell structures in molecular orbital energy diagrams for small fullerene cages: Free-electron versus generator orbital models

DOI10.1023/A:1023247514457MaRDI QIDQ1397299zbMATH OpenFDO

Authors Gordon J. Miller, John G. Verkade

Publication date 27 July 2003

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

zbMATH Keywords

spherical harmonicsfullerenesgenerator orbitalsHückel MO theory

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(1)

• The factorization of buckminsterfullerene into cyclocarbon components

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