The isomer problem for fullerene derivatives: Structural proposals for C70H36
Calculations are performed on the optimal structures and relative stabilities of the experimentally identified but as yet uncharacterized C70H36 molecule. A model in which addition preserves nominal aromaticity is tested against semi-empirical MNDO calculations and found to be inadequate: large arom...
| Main Authors: | , , , , , |
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| Format: | Conference item |
| Published: |
1996
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