. 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 10.

Fullerene C44 isomers and total curvature energies

Name	Energy (eV)	Name	Energy (eV)	Name	Energy (eV)	Name	Energy (eV)
C44(C2)1	29.456	C44(D2)2	32.322	C44(D3d)3	31.727	C44(C2)4	28.076
C44(C2)5	27.881	C44(C2)6	28.085	C44(C1)7	27.359	C44(C1)8	26.901
C44(C1)9	28.635	C44(C1)10	27.949	C44(Cs)11	27.882	C44(C2)12	27.618
C44(C2v)13	26.848	C44(C2)14	27.270	C44(C1)15	26.036	C44(C1)16	26.020
C44(C1)17	27.492	C44(C1)18	25.806	C44(C1)19	25.968	C44(C2)20	26.256
C44(C1)21	26.389	C44(C1)22	24.685	C44(C1)23	25.012	C44(D2)24	25.872
C44(C1)25	25.218	C44(C1)26	25.950	C44(C1)27	25.505	C44(Cs)28	24.845
C44(C1)29	24.164	C44(C1)30	24.487	C44(C1)31	25.802	C44(C2)32	24.446
C44(Cs)33	25.314	C44(C2)34	27.070	C44(D3)35	31.214	C44(C2)36	24.669
C44(D3h)37	25.905	C44(D3d)38	25.964	C44(C2v)39	24.944	C44(C1)40	24.708
C44(C1)41	25.793	C44(C1)42	24.935	C44(C1)43	25.754	C44(C2)44	25.488
C44(C2)45	25.834	C44(C2)46	26.079	C44(C1)47	24.285	C44(C1)48	25.210
C44(C2)49	24.380	C44(C1)50	24.960	C44(C1)51	24.174	C44(C1)52	23.454
C44(Cs)53	25.790	C44(Cs)54	24.117	C44(C2v)55	23.983	C44(C1)56	24.320
C44(C1)57	23.831	C44(C1)58	24.991	C44(C1)59	23.427	C44(C1)60	24.054
C44(C2)61	24.844	C44(C1)62	24.170	C44(C1)63	24.061	C44(C1)64	24.537
C44(C1)65	24.804	C44(C2)66	26.402	C44(C1)67	23.276	C44(C2)68	23.218
C44(C1)69	22.958	C44(Cs)70	23.619	C44(Cs)71	24.168	C44(D3h)72	22.846
C44(T)73	24.076	C44(C2)74	23.621	C44(D2)75	22.582	C44(C2)76	23.848
C44(C1)77	22.900	C44(C1)78	23.065	C44(C2)79	23.463	C44(D3)80	23.159
C44(C2)81	24.389	C44(S4)82	23.258	C44(D2)83	23.903	C44(Cs)84	24.040
C44(D2)85	25.617	C44(D3d)86	28.214	C44(C2)87	23.220	C44(C1)88	23.049
C44(D2)89	22.513