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The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method

S. SebastianN. Sundaraganesan
Nonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic CompoundsChemical synthesis and pharmacological studiesNatural bond orbitalAntibonding molecular orbitalDelocalized electronRaman spectroscopyDensity functional theoryHOMO/LUMOBasis setChemistryMolecular orbitalMolecule

MeSH terms

Models, MolecularModels, TheoreticalPiperidinesSpectrum AnalysisVibration
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317
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3.41
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39
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93%
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Cited by
Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol
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References
Molvib - A flexible program for force field calculations
Journal of Molecular Structure · 1990 · 721 citations
Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields
The Journal of Physical Chemistry · 1995 · 1,877 citations
Spectrometric identification of organic compounds
Journal of Chemical Education · 1962 · 14,215 citations
Optimization of equilibrium geometries and transition structures
Journal of Computational Chemistry · 1982 · 3,857 citations
Spectrometric identification of organic compounds
Journal of Molecular Structure · 1972 · 2,542 citations
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