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. 2019 Jul 30;5(7):e02175. doi: 10.1016/j.heliyon.2019.e02175

Table 1.

Chemical descriptors.

Compound HOMO LUMO I = -EHOMO A = -ELUMO Gap η=(I-A)/2 μ = -(I + A)/2 ω = μ2/2η
Tenoxicam -7.837 -4.931 7.837 4.931 2.908 1.454 -6.384 14.015
Piroxicam -8.004 -5.315 8.004 5.315 2.689 1.345 -6.660 16.489
Isoxicam -7.867 -5.268 7.867 5.268 2.599 1.300 -6.568 16.592