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. Author manuscript; available in PMC: 2017 Jan 15.
Published in final edited form as: J Comput Phys. 2016 Jan 15;305:276–299. doi: 10.1016/j.jcp.2015.10.036

Table 16.

Fullerene C100 isomers and total curvature energies

Name Energy (eV) Name Energy (eV) Name Energy (eV) Name Energy (eV)
C100(C2)1 32.862 C100(D2)2 35.990 C100(Cs)3 30.4100 C100(C1)4 30.393
C100(C2)5 30.646 C100(Cs)6 29.299 C100(C1)7 29.177 C100(C1)8 28.759
C100(C1)9 30.445 C100(C1)10 29.177 C100(C1)11 28.855 C100(C1)12 29.210
C100(C1)13 30.490 C100(C1)14 30.907 C100(C2)15 31.612 C100(C1)16 29.602
C100(C1)17 31.948 C100(C1)18 29.269 C100(C1)19 28.916 C100(C1)20 29.258
C100(C2)21 29.903 C100(C2)22 28.553 C100(C1)23 27.864 C100(C1)24 27.635
C100(C1)25 28.1007 C100(C1)26 28.045 C100(C1)27 28.271 C100(C1)28 28.514
C100(C2)29 28.955 C100(C1)30 28.1007 C100(C2)31 30.073 C100(C1)32 30.317
C100(C1)33 28.577 C100(C1)34 27.383 C100(C1)35 26.944 C100(C1)36 29.248
C100(C1)37 27.645 C100(Cs)38 29.592 C100(C1)39 27.276 C100(Cs)40 26.724
C100(C1)41 27.721 C100(C1)42 27.676 C100(C2)43 26.717 C100(Cs)44 27.455
C100(C1)45 30.622 C100(C1)46 27.1004 C100(C1)47 28.032 C100(C1)48 27.408
C100(C1)49 27.1009 C100(C2)50 28.618 C100(C1)51 27.005 C100(C1)52 27.127
C100(C1)53 26.929 C100(C1)54 26.754 C100(C1)55 26.705 C100(C1)56 26.846
C100(C1)57 26.919 C100(D2)58 32.111 C100(C1)59 28.477 C100(C1)60 23.375
C100(C1)61 29.172 C100(C1)62 25.762 C100(C1)63 26.041 C100(C1)64 27.762
C100(C1)65 26.077 C100(Cs)66 25.729 C100(Cs)67 27.443 C100(C1)68 26.383
C100(C1)69 27.389 C100(C1)70 25.753 C100(C1)71 27.405 C100(C1)72 26.846
C100(C1)73 26.857 C100(C1)74 25.468 C100(C1)75 26.336 C100(C1)76 27.267
C100(C1)77 29.103 C100(C1)78 25.6100 C100(C1)79 27.349 C100(C1)80 25.765
C100(C1)81 26.857 C100(C2)82 26.813 C100(C2)83 28.263 C100(C2)84 25.361
C100(C1)85 27.436 C100(C1)86 25.508 C100(C1)87 27.288 C100(C2)88 27.449
C100(C1)89 25.532 C100(C1)90 26.098 C100(C1)91 26.693 C100(Cs)92 25.805
C100(C1)93 26.103 C100(D2d)94 26.864 C100(Cs)95 25.937 C100(C1)96 26.124
C100(C1)97 26.130 C100(C1)98 25.646 C100(C2)99 27.367 C100(C1)100 26.255