Research Article
Nanoquantitative Structure-Property Relationship Modeling on C42 Fullerene Isomers
Table 2
C42 fullerene isomers: identification number (IsoID) and total strain energy (TSE).
| IsoID | TSE (eV) |
| #01 | 31.060 | #02 | 30.537 | #03 | 29.791 | #04 | 29.805 | #05 | 30.618 | #06 | 29.850 | #07 | 30.608 | #08 | 29.782 | #09 | 28.527 | #10 | 29.393 | #11 | 29.475 | #12 | 28.340 | #13 | 28.157 | #14 | 27.147 | #15 | 29.955 | #16 | 28.175 | #17 | 28.276 | #18 | 29.474 | #19 | 27.408 | #20 | 28.175 | #21 | 27.283 | #22 | 29.140 | #23 | 28.765 | #24 | 27.743 | #25 | 27.487 | #26 | 28.353 | #27 | 28.014 | #28 | 29.051 |
#29 | 27.489 | #30 | 28.972 | #31 | 27.484 | #32 | 26.657 | #33 | 26.639 | #34 | 27.371 | #35 | 26.554 | #36 | 27.973 | #37 | 29.764 | #38 | 31.101 | #39 | 26.639 | #40 | 27.501 | #41 | 26.672 | #42 | 28.665 | #43 | 28.284 | #44 | 26.737 | #45 | 25.661 |
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