Seema S. Khemalapure

Molecular structure, vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4, 6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and theoretical approach

Sudhir M. Hiremath, A. Suvitha, N.R. Patil et al. · Journal of Molecular Structure · 2018 · 93 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Spectroscopic (FT-IR, FT-Raman, NMR and UV-Vis), ELF, LOL, NBO, and Fukui function investigations on (5-bromo-benzofuran-3-yl)-acetic acid hydrazide (5BBAH): Experimental and theoretical approach

Seema S. Khemalapure, Vinay S. Katti, Chidanandayya S. Hiremath et al. · Journal of Molecular Structure · 2019 · 83 citations

Natural Sciences, Chemistry, Organic Chemistry +12

Structural, spectroscopic characterization of 2-(5-methyl-1-benzofuran-3-yl) acetic acid in monomer, dimer and identification of specific reactive, drug likeness properties: Experimental and computational study

Sudhir M. Hiremath, Anil S. Patil, Chidanandayya S. Hiremath et al. · Journal of Molecular Structure · 2018 · 60 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach

Sudhir M. Hiremath, A. Suvitha, N.R. Patil et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2018 · 55 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR), reactivity (ELF, LOL and Fukui) and docking studies on 3-(2‑hydroxy-3‑methoxy-phenyl)-1-(3-nitro-phenyl)-propenone by experimental and DFT methods

Shivaraj B. Radder, Raveendra Melavanki, Umesharaddy Radder et al. · Journal of Molecular Structure · 2022 · 39 citations

Natural Sciences, Chemistry, Medicinal Chemistry +11