| The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method S Sebastian, N Sundaraganesan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 75 (3 …, 2010 | 351 | 2010 |
| Molecular structure, vibrational spectroscopic and HOMO, LUMO studies of 4-nitroaniline by density functional method E Kavitha, N Sundaraganesan, S Sebastian CSIR, 2010 | 195 | 2010 |
| Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations E Kavitha, N Sundaraganesan, S Sebastian, M Kurt Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77 (3 …, 2010 | 111 | 2010 |
| Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study S Sebastian, N Sundaraganesan, S Manoharan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 74 (2 …, 2009 | 105 | 2009 |
| The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2, 4-dichloroaniline by ab initio HF and density functional methods N Sundaraganesan, J Karpagam, S Sebastian, JP Cornard Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 (1 …, 2009 | 94 | 2009 |
| 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, JP Cornard, M Martel Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 74 (3 …, 2009 | 92 | 2009 |
| Molecular structure, vibrational spectroscopic, first‐order hyperpolarizability and HOMO, LUMO studies of 3‐hydroxy‐2‐naphthoic acid hydrazide J Karpagam, N Sundaraganesan, S Sebastian, S Manoharan, M Kurt Journal of Raman Spectroscopy: An International Journal for Original Work in …, 2010 | 80 | 2010 |
| Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2 … S Sebastian, N Sundaraganesan, B Karthikeiyan, V Srinivasan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (2 …, 2011 | 77 | 2011 |
| Molecular structure, spectroscopic (FTIR, FTIR gas phase, FT‐Raman) first‐order hyperpolarizability and HOMO–LUMO analysis of 4‐methoxy‐2‐methyl benzoic acid C Meganathan, S Sebastian, M Kurt, KW Lee, N Sundaraganesan Journal of Raman Spectroscopy 41 (10), 1369-1378, 2010 | 76 | 2010 |
| Vibrational spectral investigation and natural bond orbital analysis of pharmaceutical compound 7-Amino-2, 4-dimethylquinolinium formate–DFT approach DM Suresh, M Amalanathan, S Sebastian, D Sajan, IH Joe, VB Jothy, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 115, 595-602, 2013 | 73 | 2013 |
| Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate S Ayyappan, N Sundaraganesan, V Aroulmoji, E Murano, S Sebastian Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77 (1 …, 2010 | 72 | 2010 |
| The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods S Chandra, H Saleem, N Sundaraganesan, S Sebastian Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 74 (3 …, 2009 | 54 | 2009 |
| Molecular structure, vibrational spectroscopic studies and analysis of 2-fluoro-5-methylbenzonitrile N Sundaraganesan, G Elango, S Sebastian, P Subramani CSIR, 2009 | 54 | 2009 |
| Vibrational spectroscopic studies and DFT calculations of 4-aminoantipyrine J Swaminathan, M Ramalingam, V Sethuraman, N Sundaraganesan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 (4 …, 2009 | 51 | 2009 |
| 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 |
| Fabrication, microstructure, morphological and magnetic properties of W-type ferrite by co-precipitation method: antibacterial activity R Sagayaraj, T Dhineshkumar, A Prakash, S Aravazhi, ... Chemical Physics Letters 759, 137944, 2020 | 37 | 2020 |
| Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method SS Akhil R. Krishnan, H. Saleem, S. Subashchandrabose, N. Sundaraganesan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (2 …, 2011 | 37 | 2011 |
| The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of l-cysteine by ab inito HF and density functional method S Chandra, H Saleem, S Sebastian, N Sundaraganesan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (5 …, 2011 | 36 | 2011 |
| Molecular docking, TG/DTA, molecular structure, harmonic vibrational frequencies, natural bond orbital and TD-DFT analysis of diphenyl carbonate by DFT approach S Xavier, S Periandy, K Carthigayan, S Sebastian Journal of Molecular Structure 1125, 204-216, 2016 | 31 | 2016 |
Dr. Simon SylvestreDepartment of Chemistry , Mukuba University - ZambiaVerified email at mukuba.edu.zm
