| Study on conformational stability, molecular structure, vibrational spectra, NBO, TD-DFT, HOMO and LUMO analysis of 3, 5-dinitrosalicylic acid by DFT techniques S Sebastian, S Sylvestre, J Jayabharathi, S Ayyapan, M Amalanathan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136 …, 2015 | 49 | 2015 |
| Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic … S Sebastian, S Sylvestre, N Sundaraganesan, M Amalanathan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 107, 167-178, 2013 | 44 | 2013 |
| Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant … S Sebastian, S Sylvestre, D Jayarajan, M Amalanathan, K Oudayakumar, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 101, 370-381, 2013 | 30 | 2013 |
| Metallic magnetism and change of conductivity in the nano to bulk transition of cobalt ferrite A Arunkumar, D Vanidha, K Oudayakumar, S Rajagopan, R Kannan Journal of Applied Physics 114 (18), 2013 | 23 | 2013 |
| Experimental (FT-IR, FT-Raman and UV–Vis) spectra and theoretical DFT investigations of 2, 3-diaminophenazine S Sylvestre, S Sebastian, K Oudayakumar, T Jayavarthanan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 401-412, 2012 | 21 | 2012 |
| Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine monohydrate by density functional theory approach S Sylvestre, S Sebastian, S Edwin, M Amalanathan, S Ayyapan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 133, 190-200, 2014 | 18 | 2014 |
| Molecular structure, vibrational spectra and first-order hyperpolarisability analysis of 2-amino-6-nitrobenzothiazole by DFT method S Sebastian, S Sylvestre, K Oudayakumar, T Jayavarthanan, ... Molecular Simulation 39 (13), 1052-1064, 2013 | 5 | 2013 |
| Effect of Lithium Codoping on Dual Acceptor Doped ZnO R Kannan, S Rajagopan, R Murugaraj, B Haridass, A Sivagamasundari, ... AIP Conference Proceedings-American Institute of Physics 1349 (1), 1133, 2011 | | 2011 |
S. SebastianAssistant Professor in Physics, St.Joseph's College of Arts & Science college, cuddaloreVerified email at sjctnc.edu.in
