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- [43] Molecular structure, spectral investigation (1H NMR, 13C NMR, UV-Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first hyperpolarizability analysis of formononetin [7-hydroxy-3(4-methoxyphenyl)chromone]: A quantum chemical study JOURNAL OF MOLECULAR STRUCTURE, 2015, 1084 : 55 - 73
- [44] Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,7,8,9-tetrachloro-10, 10-dimethoxy-4-[3-(4-phenylpiperazin-l-yl)propyl]-4-azatricyclo [5.2.1.02,6]dec-8-ene-3,5-dione by density functional methods SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 124 : 500 - 513
- [45] Quantum chemical calculations on the geometrical, conformational, spectroscopic (FTIR, FT-Raman) analysis and NLO activity of milrinone [5-cyano-2-methyl-(3,4′-bipyridin)-6(1h)-one] by using hartree-fock and density functional methods INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 2017, 55 (07) : 478 - 489