2014•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

NBO, HOMO–LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFT computational methods

A. Suvitha, S. Periandy, Pananghat Gayathri

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Key concepts: Natural bond orbital, HOMO/LUMO, Chemical shift, Density functional theory, Chemistry, Basis set, Raman spectroscopy, Carbon-13 NMR

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NBO, HOMO–LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFT computational methods — Research Paper | ScholarLens