The Exact Icosahedral Symmetry Relations for Atomic Overlaps, Molecular Orbitals and Vibrational Species of C60 Buckyballs

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Title:	The Exact Icosahedral Symmetry Relations for Atomic Overlaps, Molecular Orbitals and Vibrational Species of C60 Buckyballs
Authors:	王伯昌;Wang, Bo-cheng;丘應楠;Chiu, Ying-nan
Contributors:	淡江大學化學學系
Keywords:	Buckminsterfullerene;Buckball;Vibrational Symmetry Species;Atomic Orbit;Molecular Orbit;Computer Adapted Vector Method;Euler Angle Transformation;原子軌道;分子軌道
Date:	1992-04-01
Issue Date:	2013-07-29 13:40:31 (UTC+8)
Publisher:	臺北市：中國化學學會
Abstract:	A computer adapted vector method and Euler angle transformation procedures are used to generate the relationship between the atomic orbitals of icosahedral C/sub 60/ Buckminsterfullerene cluster and to produce symmetry adapted molecular orbitals and vibrational species. The atomic overlaps based on the orientational relationship of the orbitals are used to compute the approximate molecular orbital energies and normalization constants. One of the vibrations of A/sub u/, symmetry is used to interpret the isomeric (dyotropic) rearrangement that breaks and forms two bonds to change two pentagons to two hexagons and vice versa.
Relation:	Journal of the Chinese Chemical Society=中國化學會會誌 39(2), pp.111-115
DOI:	10.1002/jccs.199200018
Appears in Collections:	[Graduate Institute & Department of Chemistry] Journal Article

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