Fullerene structures and reactions: MNDO calculations

The author carries out calculations to support several different experiments which have been conducted on fullerenes and other large carbon clusters. These include reactions which excise C{sub 2}, C{sub 4}, and C{sub 6} groups from buckminsterfullerene and related molecules. Some of these reactions...

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Veröffentlicht in:	Journal of Physical Chemistry 1992, Vol.96 (1), p.111-118
1. Verfasser:	Stanton, Richard E
Format:	Artikel
Sprache:	eng
Schlagworte:	40 CHEMISTRY Atomic and molecular clusters Atomic and molecular physics COMPUTER CALCULATIONS DISSOCIATION Exact sciences and technology FULLERENES ISOMERIZATION MATERIALS SCIENCE Physics STABILITY Studies of special atoms, molecules and their ions clusters
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Beschreibung
Zusammenfassung:	The author carries out calculations to support several different experiments which have been conducted on fullerenes and other large carbon clusters. These include reactions which excise C{sub 2}, C{sub 4}, and C{sub 6} groups from buckminsterfullerene and related molecules. Some of these reactions are shown to be multiphoton in nature. In addition there is an indication that the C{sub 30} molecule may have a stable structure.
ISSN:	0022-3654 1541-5740
DOI:	10.1021/j100180a025