18 results on '"Raja, M."'
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2. Molecular structure, electronic properties, ESP map (polar aprotic and polar protic solvents), and topology investigations on 1-(tert‑Butoxycarbonyl)-3-piperidinecarboxylic acid- Anticancer therapeutic agent
3. Investigations on spectroscopic, ADMET properties and drug-likeness, molecular docking, chemical properties of (2E)-3-(biphenyl-4-yl)-1-(2,4-dichlorophenyl)-prop-2-en-1-one by combined density-functional theory
4. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine
5. Quantum computational, spectroscopic and molecular docking studies on 2-acetylthiophene and its bromination derivative
6. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV-VIS), chemical reactivity and biological examinations of Ketorolac
7. Theoretical and experimental spectroscopic studies of monomeric and dimeric structures of 4-hydroxybenzamide
8. Molecular structure conformational analyses, solvent-electronic studies through theoretical studies and biological profiling of (2E)-1-(3-bromo-2-thienyl)-3-(4-chlorophenyl)-prop-2-en-1-one
9. Spectroscopic and DFT studies, structural determination, chemical properties and molecular docking of 1-(3-bromo-2-thienyl)-3-[4-(dimethylamino)-phenyl]prop-2-en-1-one
10. Spectral, DFT and molecular docking investigations on Etodolac
11. DFT, molecular docking and experimental FT-IR, FT-Raman, NMR inquisitions on “4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine”: Alpha-2-imidazoline receptor agonist antihypertensive agent
12. Molecular docking, vibrational spectroscopy studies of (RS)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one: A potential adrenaline uptake inhibitor
13. Quantum computational studies, spectroscopic (FT-IR, FT-Raman and UV–Vis) profiling, natural hybrid orbital and molecular docking analysis on 2,4 Dibromoaniline
14. Quantum mechanical, spectroscopic studies and molecular docking analysis on 5,5-diphenylimidazolidine-2,4-dione
15. Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide
16. N[sbnd]H⋯O hydrogen bonded novel nonlinear optical semiorganic crystal (4-methoxyanilinium trifluoroacetate) studied through theoretical and experimental methods
17. Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), Fukui function, antimicrobial and molecular docking study of (E)-1-(3-bromobenzylidene)semicarbazide by DFT method
18. Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), first order hyperpolarizability, NBO and molecular docking study of (E)-1-(4-bromobenzylidene)semicarbazide
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