Energetics of fullerenes with four-membered rings
The energetic cost of introducing square faces to fullerenes with adjacent pentagons is investigated theoretically. Relative energies of all 1735 hypothetical C40 cages that can be assembled from square, pentagonal, and hexagonal faces are calculated within two independent semiempirical models. All...
| Main Authors: | , , , , , , , |
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| Format: | Journal article |
| Published: |
1996
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