A. Suvitha, M.A.M. El-Mansy, G. Kothandan, A. Steephen
Molecular structure, FT-Raman, IR, NLO, NBO, HOMO—LUMO analysis, physicochemical descriptors, ADME parameters, and pharmacokinetic bioactivity of 2,3,5,6-tetrachloro-p-benzoquinone
Ключевые слова:
2, 3, 5, 6-tetrachloro-p-benzoquinone (TCBQ), NBO, NLO, HOMO—LUMO, ADME, MEP, CADD