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. 2026 Jan 8;16:3839. doi: 10.1038/s41598-025-33948-x

Table 2.

Dominating energies with respect to the Estrada version.

Benzenoid Hydrocarbons Inline graphic Inline graphic Inline graphic Inline graphic
Naphthalene 36.56473 49.59962 50.80898 34.66148
Phenanthrene 52.38371 72.23319 72.23319 52.53371
Anthracene 52.38722 70.29463 74.82321 52.01804
Chrysene 68.82106 93.44150 93.84929 66.87952
Tetraphene 61.01630 87.88976 97.74443 61.94124
Triphenylene 70.79450 89.19469 100.64750 74.96603
Naphthacene 68.18121 90.63103 96.56156 66.71444
Benzo[a]pyrene 78.49290 98.26882 107.02520 73.49382
Benzo[e]pyrene 77.37778 99.54656 108.51760 78.55569
Perylene 77.37321 95.22381 111.85470 73.58340
Anthanthrene 86.13822 104.19570 120.25160 80.10396
Benzo[ghi]perylene 86.14930 105.18170 120.88580 86.09410
Dibenz[a,h]anthracene 84.01095 113.02970 119.39000 77.95799
Dibenz[a,j]anthracene 87.73030 109.41620 114.28300 83.22039
Picene 86.66966 112.52800 123.57920 77.96853
Coronene 94.93797 120.73110 115.41620 94.07581
Benzo[c]phenanthrene 68.29182 89.42645 92.58968 65.64847
Pyrene 57.55509 77.39763 81.46004 59.65623
Dibenzo[a,e]pyrene 94.33057 121.87510 131.51900 89.48429
Dibenzo[a,h]pyrene 94.31972 121.30650 132.59050 89.64652
Dibenzo[a,i]pyrene 93.18162 114.73530 132.71560 92.02295
Dibenzo[a,l]pyrene 93.19735 118.94410 137.32910 90.86382
Peropyrene 102.35170 129.05950 140.74280 98.70259
Ovalene 130.22780 153.93550 176.18180 118.45890
Heptacene 110.87530 154.64850 163.20040 107.28670
Bisanthene 111.15200 140.96510 162.08420 102.17040
Dibenzo[a,l]pentacene 115.62740 156.87900 164.30530 108.91700
Dibenzo[a,l]tetracene 99.81919 135.86920 139.72700 96.60709
Naphtho[2,3-a]pyrene 94.30381 122.80540 127.35850 88.10015
Naphtho[8,1,2-bcd]perylene 104.55080 128.60190 140.77120 98.86585
Tribenzo[b,n,pqr]perylene 118.18930 145.61020 169.17950 112.35050
Tribenzo[a,fg,op]tetracene 109.03160 138.75400 155.90940 110.45310
Pyreno[4,5-e]pyrene 119.30470 143.05100 163.80830 115.16590
Dibenzo[c,p]chrysene 102.43490 131.97460 143.88860 95.27327
Dibenzo[h,rst]pentaphene 109.01620 140.03690 157.05990 104.41130