| 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 |
| 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 |
| Ag-TiO2@ Pd/C nanocomposites for efficient degradation of Reactive Red 120 dye and ofloxacin antibiotic under UV and solar light and its antimicrobial activity S Ravikumar, D Mani, MR Khan, N Ahmad, S Sylvestre, C Surya, ... Journal of Environmental Chemical Engineering 9 (6), 106657, 2021 | 20 | 2021 |
| 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 |
| Synthesis, characterization of porphyrin and CdS modified spherical shaped SiO2 for Reactive Red 120 degradation under direct sunlight B Krishnakumar, S Ravikumar, V Pandiyan, V Nithya, S Sylvestre, ... Journal of Molecular Structure 1210, 128021, 2020 | 16 | 2020 |
| NMR spectral study of some 2r, 6c-diarylpiperidin-4-one (3′-hydroxy-2′-naphthoyl) hydrazones with special reference to γ-syn effect S Sylvestre, K Pandiarajan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (1 …, 2011 | 14 | 2011 |
| Conformational analysis, molecular structure, spectroscopic, NBO, reactivity descriptors, wavefunction and molecular docking investigations of 5, 6-dimethoxy-1-indanone: A … S Sebastian, S Sylvestre, N Sundaraganesan, B Karthikeyan, S Silvan Heliyon 8 (1), 2022 | 5 | 2022 |
| 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 |
| Influence of Ce3+ (rare earth element) on the structural, morphological, impedance, binding energy and ferrimagnetic properties of spinel ZnFe2O4 nanoparticles fabricated by … A Prakash, R Sagayaraj, D Jayarajan, S Aravazhi, S Sebastian, ... Chemistry Africa 6 (3), 1269-1281, 2023 | 3 | 2023 |
| 17 MOLECULAR STRUCTURE, NATURAL ATOMIC CHARGE, MULLIKEN ATOMIC CHARGE AND MOLECULAR ELECTROSTATIC POTENTIAL ANALYSIS OF SUBSTITUTED BENZENE DERIVATIVES S Sebastian, S Silvan, S Sylvestre, C Nyanga Recent Trends and Latest Innovations in Life Sciences, 155, 2022 | | 2022 |
S. SebastianAssistant Professor in Physics, St.Joseph's College of Arts & Science college, cuddaloreVerified email at sjctnc.edu.in
