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Table A.1
Expressions for (polycyclic) aromatic cluster structures.
| Term | Linear clusters | Compact clusters |
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| No. of C atoms, nC | 4NR + 2 | 3NR + 4 |
| Coordination no. | 2NR + 4 | NR + 6 |
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| No. of rings |
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| No. of constraints | 5NR + 7 |
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| Analytical fit for Nrow linear clusters | ||
| No. of C atoms, n |
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| Coordination no. |
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| No. of rings | Nrow(n − Nrow)/ [2(Nrow + 1)] | |
| No. of constraints |
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| Analytical fit for all compact clusters | ||
| No. of C atoms, n |
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| Coordination no. |
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| No. of rings |
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| No. of constraints |
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