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Journal of Chemistry
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2021
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Article
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Tab 3
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Research Article
Study of Hardness of Superhard Crystals by Topological Indices
Table 3
Structure symmetry, Randić index (R), atom-bond connectivity (ABC) index, calculated hardness (H), and their cumulative correlations (Cor) between (R, H) and (ABC, H).
Crystal
Symmetry
Randić index (R)
ABC index
Hardness of crystals
Cor (R, H)
Cor (ABC, H)
14.136584
25.3452096
56.0
—
—
5.77350269
9.11396154
65.8
−1
−1
5.6090609
8.84196034
61.9
−0.911790078
−0.9128016
5.60906090
8.84196034
64.8
−0.921902798
−0.92264538
8.93265299
14.0612554
80.0
−0.267918644
−0.33848122
12.4282032
9.62994735
74.0
−0.028477805
−0.39185327
11.9423942
23.9924049
70.0
0.019298886
−0.23407776
6.24264069
11.949383
77.6
−0.11272915
−0.26114031
7.61383217
10.3762508
65.3
−0.092422184
−0.2263985
7.56564615
12.6470418
80.7
−0.134370355
−0.22184915
10.1941896
17.3528047
75.2
−0.096163473
−0.17150281
22.8743687
34.3374432
65.4
−0.197758916
−0.24340232