Research Article

Nanoquantitative Structure-Property Relationship Modeling on C42 Fullerene Isomers

Table 2

C42 fullerene isomers: identification number (IsoID) and total strain energy (TSE).

IsoIDTSE (eV)

#0131.060
#0230.537
#0329.791
#0429.805
#0530.618
#0629.850
#0730.608
#0829.782
#0928.527
#1029.393
#1129.475
#1228.340
#1328.157
#1427.147
#1529.955
#1628.175
#1728.276
#1829.474
#1927.408
#2028.175
#2127.283
#2229.140
#2328.765
#2427.743
#2527.487
#2628.353
#2728.014
#2829.051
#2927.489
#3028.972
#3127.484
#3226.657
#3326.639
#3427.371
#3526.554
#3627.973
#3729.764
#3831.101
#3926.639
#4027.501
#4126.672
#4228.665
#4328.284
#4426.737
#4525.661