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

DOI10.1023/A:1023247514457zbMath1018.92038MaRDI QIDQ1397299

John G. Verkade, Gordon J. Miller

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

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

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