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Spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and computational (DFT, MESP, NBO, NCI, LOL, ELF, RDG and QTAIM) profiling of 5‑chloro-2‑hydroxy-3-methoxybenzaldehyde: A promising antitumor agent

A. Ram Kumar, L. Ilavarasan, G.P. Sheeja Mol, S. Selvaraj, Mohammad Azam, P. Jayaprakash, M. Kesavan, Mahboob Alam, J. Dhanalakshmi, Saud I. Al‐Resayes, A. Ravi

2023Journal of Molecular Structure107 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryMulliken population analysisComputational chemistryHOMO/LUMODensity functional theoryFukui functionChemical shiftAtoms in moleculesElectron localization functionCrystallographyStereochemistryMoleculePhysical chemistryElectronOrganic chemistryQuantum mechanicsElectrophilePhysicsCatalysisSynthesis and biological activityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds
Spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and computational (DFT, MESP, NBO, NCI, LOL, ELF, RDG and QTAIM) profiling of 5‑chloro-2‑hydroxy-3-methoxybenzaldehyde: A promising antitumor agent | Litcius