|
Govindarasu.K, E. Kavitha ⇑, N. Sundaraganesan, "Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory.", Spectrochemica Acta A.,, Volume 133, Number 17, Dec 2014, pp. 417-431. 2014. | |
|
Govindarasu. K , E. Kavitha, "Vibrational spectra, molecular structure, NBO, NMR, UV, first order hyperpolarizability, analysis of (S)-()-N-(5-Nitro-2-pyridyl) alaninol by Density functional theory.", Spectrochemica Acta A.,, Volume 127, Number 11, Jun 2014, pp. 498-510. 2014. | |
|
Govindarasu.K and E.Kavitha, "Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-40-Nitrobiphenyl by density functional theory.", Spectrochemica Acta A.,, Volume 122, Number 06, Mar 2014, pp. 130-141. 2014. | |
|
Govindarasu.K and E.Kavitha, "Molecular structure, vibrational spectra, NBO, UV and first order hyperpolarizability, analysis of 4-Chloro-DL-phenylalanine by density functional theory.", Spectrochemica Acta A.,, Volume 133, Number 17, Dec 2014, pp. 799-810. 2014. | |
|
Kavitha.E.,N.Sundaraganesan,S.Sebastian and M.Kurt., "Molecular structure,anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations..", Spectrochemica Acta A.,, Volume 77, Number 03, 2010, pp. 612-619. 2010. | |
|
Sundaraganesan.N., E.Kavitha., S.Sebastian., J.P.Cornard andM.Martel., "Experimental FTIR,FT-IR (Gas phase),FT-Raman and NMR spectra,hyperpolarazability studies and DFT calculations of3,5 Dimethylpyrazole..", Spectrochemica Acta A, Volume 74, Number 03, 2009, pp. 788-797. 2009. | |