2013•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on pycolinaldehyde oxime

Athisaya Rajah Suvitha, S. Periandy, Shanmugam Boomadevi, Marimuthu Govindarajan

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Key concepts: Natural bond orbital, HOMO/LUMO, Basis set, Chemistry, Ab initio, Mulliken population analysis, Raman spectroscopy, Molecular orbital

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Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on pycolinaldehyde oxime — Research Paper | ScholarLens