E. Kavitha

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Publications (11)

• Structural, vibrational spectroscopic studies and quantum chemical calculations of n-(2,4-dinitrophenyl)-L-alanine methyl ester by density functional theory
  Journal of Molecular Structure 2015 DOI: 10.1016/j.molstruc.2015.02.008
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• Synthesis, molecular structure, spectroscopic characterization and quantum chemical calculation studies of (2E)-1-(5-chlorothiophen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
  Journal of Molecular Structure 2015 DOI: 10.1016/j.molstruc.2014.12.052
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• Synthesis, structural and spectral analysis of (E)-N′-(4- Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate by density functional theory
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015 DOI: 10.1016/j.saa.2014.08.014
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• Synthesis, structural and spectral analysis of 1-(pyrazin-2-yl) piperidin-2-ol by density functional theory
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015 DOI: 10.1016/j.saa.2014.11.063
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• Molecular structure, vibrational spectra, NBO, UV and first order hyperpolarizability, analysis of 4-Chloro-dl-phenylalanine by density functional theory
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2014 DOI: 10.1016/j.saa.2014.06.019
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• Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2014 DOI: 10.1016/j.saa.2014.06.040
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• Vibrational spectra, molecular structure, NBO, NMR, UV, first order hyperpolarizability, analysis of (S)-(-)-N-(5-Nitro-2-pyridyl) alaninol by Density functional theory
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2014 DOI: 10.1016/j.saa.2014.02.107
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• Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4′-Nitrobiphenyl by density functional theory
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2014 DOI: 10.1016/j.saa.2013.10.122
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• Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2010 DOI: 10.1016/j.saa.2010.06.034
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• Molecular structure, vibrational spectroscopic and HOMO, LUMO studies of 4-nitroaniline by density functional method
  Indian Journal of Pure and Applied Physics 2010
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