E. Kavitha

Molecular structure, vibrational spectroscopic and HOMO, LUMO studies of 4-nitroaniline by density functional method

E. Kavitha, N. Sundaraganesan, S. Sebastian · Indian Journal of Pure & Applied Physics · 2010 · 135 citations · Full text

Natural Sciences, Chemistry, Physics +15

Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations

E. Kavitha, N. Sundaraganesan, S. Sebastian et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2010 · 113 citations

Natural Sciences, Chemistry, Physics +17

Experimental FTIR, FT-IR (gas phase), FT-Raman and NMR spectra, hyperpolarizability studies and DFT calculations of 3,5-dimethylpyrazole

N. Sundaraganesan, E. Kavitha, S. Sebastian et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2009 · 98 citations

Natural Sciences, Chemistry, Materials Science +14

Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4′-Nitrobiphenyl by density functional theory

K. Govindarasu, E. Kavitha · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 82 citations

Natural Sciences, Chemistry, Physics +15

Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory

K. Govindarasu, E. Kavitha, N. Sundaraganesan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 54 citations

Natural Sciences, Chemistry, Materials Science +14