STRUCTURAL MOTIFS AND THE STABILITY OF FULLERENES
Full geometry optimization has been performed within the semiempirical QCFF/PI model for the 1812 fullerene structural isomers of C60 formed by 12 pentagons and 20 hexagons. All are local minima on the potential energy hypersurface. Correlations of total energy with many structural motifs yield high...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Published: |
1995
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