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| Volume 14 Number 3 |
July 1998 |
Swiss Center for Scientific Computing Swiss Federal Institute of Technology Zurich, Switzerland The discovery of the fullerenes opened a new chapter in chemistry and material science and strongly stimulated computational chemistry and physics. Some of the earliest results of this stimulus originated from the University of Minnesota Supercomputing Institute when the Almlöf research group investigated the stability of the "Buckyball." Hans Peter Lüthi reviewed aspects of the impact of this new challenge on computational chemistry. He went on to present results of recent large-scale computations on small fullerenes and polyacetylenic materials with potential application in molecular switches. |
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