Dr. S. SEBASTIAN

Assistant Professor


Professional Info

Department : Physics
Qualification : M.Sc., Ph.D.,
Specialization : Vibrational Spectroscopy combined with Quantum Chemical Calculation
Academic Experience :
Publications : List of Publications in International Journals:Study on Conformational stability, molecular structure, vibrational spectra, NBO, TD-DFT, HOMO and LUMO analysis of 3,5-dinitrosalicyclic acid by DFT techniques Spectrochim Acta Part A: Molecular and Biomolecular Spectroscopy 136B (2015) 1107-1118, Sebastian, S.Sylvester, J.Jayabharathi, S.Ayyappan, M.Amalanathan, K.Oudayakumar, Ignatius A. Herman.

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 Spectrochim Acta Part A: Molecular and Biomolecular Spectroscopy 10 (2014) 190-200,Sylvester, S.Sebastian, S.Edwin, M.Amalanathan, S.Ayyapan, T.Jayavarthanan, K.Oudayakumar, S.Soloman.

Vibrational spectral Investigation and natural bond orbital analysis of Pharmaceutical compound 7-amino-2,4-dimethylquinolinium formate-DFT approach, Spectrochim Acta Part A: Molecular and Biomolecular Spectroscopy 115 (2013) 595-602, M. Suresh, M.Amalanathan, S.Sebastian, D.Sajan, I.Hubert Joe, V.Bena Jothy, Ivan Nemac,

Molecular structure, Normal coordinate analysis, Harmonic Vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin, Spectrochim Acta Part A: Molecular and Biomolecular Spectroscopy 101(2013) 370-381, Sebastian, S.Sylvester, D.Jayarajan, M.Amalanathan, K.Oudayakumar, T.Gnanapoongothai, T.Jayavarthanan.

Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach. Spectrochim Acta Part A: Molecular and Biomolecular Spectroscopy 107(2013) 167-178, Sebastian, S.Sylvester, N.Sundaraganesan, M.Amalanathan, S.Ayyappan, K.Oudayakumar, B.Karthikeyan.

Molecular structure, Vibrational spectra and first order hyperpolarizability analysis of 2-amino-6-nitrobenzothiazole by DFT method, Molecular Simulation 39 (2013) 1052-1064, Sebastian, S.Sylvester, K.Oudayakumar, T.Jayavarthanan, B.Karthikeiyan, N.Sundaraganesan.

Molecular structure, spectroscopic (FT-IR, FT-Raman, UV–vis), NBO, thermochemistry analysis of bis(thiourea)zinc(II) chloride crystals, Molecular Simulation 39 (2013) 584-595, S.P. Meenakshisundaram, B. Karthikeyan, K. Muthu & S. Sebastian.

Vibrational spectral Investigations, and Natural Bond Orbital analysis of anti-Rheummatoid drug Ethyl 4-nitrophenylacetate – DFT approach, Spectrochim Acta Part A: Molecular and Biomolecular Spectroscopy 98 (2012) 413-422, M.Suresh, M.Amalanathan, S.Sebastian, D.Sajan, I.Huber Joe, V.Bena Joy.

Experimental (FT-IR, FT-Raman and UV–Vis) spectra and theoretical DFT investigations of 2,3-diaminophenazine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96A (2012) 401-412, Sylvestre, S.Sebastian, K.Oudayakumar, T.Jayavarthanan, N.Sundaraganesan.

Structural, Vibrational (FT-IR and FT-Raman) and UV-Vis spectral analysis of 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 95(2012)331-340, Meganathan, S.Sebastian, I.Sivanesan, Keun Woo Lee, Byoung Ryong jeong, Halil Oturak, N.Sundaraganesan.

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-cyanobiphenyl. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78A (2011) 590-600, S.Sebastian, N.Sundaraganesan, B.Karthikeiyan, Srinivasan.

The Spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-Cysteine by ab initio HF and Density Functional method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 A (2011) 1515-1524, Chandra, H.Saleem, S.Sebastian, N.Sundaraganesan.

Molecular Structure, Vibrational spectroscopic(FT-IR; FT-Raman);UV and NBO analysis of 2-chlorobenzonitrile by Density Functional method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 A (2011) 582-589, R.Krishnan, H.Saleem, S.Subashchandrabose, N. Sundaraganesan, S. Sebastian.

The Spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume A75 (2010) 941-952, Sebastian, N.Sundaraganesan.

Molecular structure, Anharmonic vibrational frequencies and NBO analysis of Naphthalene acetic acid by Density functional theory calculations Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77(2010)612-619, Kavitha, N.Sundaraganesan, S.Sebastian, M.Kurt.

Molecular structure, vibrational spectra and DFT molecular orbital   calculations (TD-DFT and NMR) of the antiproliferative drug Methotraxate, Spectrochimica Acta Part A: Molecular and Biomolecular   Spectroscopy A77 (2010) 264-275, Ayyappan, N.Sundaraganesan, V.Aroulmoji, E.Murano, S.Sebastian.

Anharmonic vibrational analysis of 3,4-diaminopyridine and
3-aminopyridine by density functional theory calculations, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy A76 (2010) 502-512, Sundaraganesan, J.Karpagam, S.Kalaichelvan, S.Sebastian.

Molecular structure, vibrational spectroscopic, first order hyperpolarizability and HOMO, LUMO studies of 3-hydroxy-2-naphthoic acid hydrazide Journal of Raman spectroscopy, 41 (2010) 53-62, J. Karpagam, N. Sundaraganesan,Sebastian, S. Manoharan, M.Kurt. Journal of
Raman Spectroscopy 41(2010)1369-1378, Meganathan, S.Sebastian, M. Kurt, Keun WooLee, N. Sundaraganesan.

FT-IR, FT-Raman, ab initio and DFT structural and vibrational frequency analysis of 6-aminopenicillanic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume A75 (2009) 183, J.Swaminathan, M.Ramalingam, V.Sethuraman, N.Sundaraganesan, S.Sebastian, M.Kurt.

Spectroscopic FT-IR gas phase, FT-IR, FT-Raman, Polarizabilities analysis of Naphthoic acid by density functional methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume A 74 (2009) 704-713, Chandra, H .Saleem, N.Sundaraganesan, S.Sebastian.

Experimental FT-IR, FT-IR (gas phase), FT-Raman and NMR spectra, Hyperpolarizability studies and DFT calculations of
3,5-dimethylpyrazole Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume A 74 (2009) 788-797, Sundaraganesan, E.Kavitha, S.Sebastian, J.P.Cornard, M.Martel.

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. Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopyVolume Volume A73 (2009) 11–19, N.Sundaraganesan, J. Karpagam, S.Sebastian, J.P. Cornard.

Vibrational spectroscopic studies and DFT calculations of 4-aminoantipyrine. Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopyVolume A73 (2009) 593-600, J.Swaminathan, M.Ramalingam, V.Sethuraman,  N. Sundaraganesan, S.Sebastian.

Molecular structure and vibrational spectra of 4-nitrobenzylchloride by ab initio Hartree – Fock and density functional methods, Molecular Simulation, Vol. 34, May 2008, Page: 619-630, N. Sundaraganesan, H. Umamaheswari. Meganathan and S.Sebastian.

Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of Ferulic acid by Density functional study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume A 74 (2009) 312-323, S.Sebastian, N.Sundaraganesan, S.Manoharan.

List of Publications in National Journals:

Molecular Structure, Vibrational Spectroscopic and HOMO, LUMO studies of 4-nitroaniline by density functional method, Indian Journal of Pure & Applied Physics, Vol. 48, January, 2010 pp. 20-30, E.Kavitha, N.Sundaraganesan, S.Sebastian.

Experimental and theoretical vibrational spectroscopic and HOMO, LUMO studies of 1,3-dimethylbarbituric acid, Indian Journal of Chemistry Vol. 48A, September 2009, pp. 1219-1227, S Chandra, H Saleem, N Sundaraganesan & S Sebastian.

Molecular structure, vibrational spectroscopic studies and analysis of 2-fluoro-5-Methylbenzonitrile. Indian Journal of Pure & Applied Physics, Vol. 47, July 2009, pp. 481-490, N Sundaraganesan, G Elango, S Sebastian & P Subramani.

Vibrationl spectroscopic studies supported by HF, DFT calculations of 2, 4, 6-triaminopyrimidine, Indian Journal of Chemistry, Volume 47A June (2008) Page: 821-829, N.Sundaraganesan, B.Dominic Joshua, C.Meganathan & S.Sebastian.

 

Conferences/Seminars/Workshops National Conferences:Experimental (FT-IR, FT-Raman and UV–Vis) spectra and theoretical DFT investigations of 2,3-diaminophenazine in National Conference on Physics of New materials (NCPNM-2012) 20.4.2012 to 21.4.2012 in Department of Physics, Noorul Islam University, Kumarakoil, Tamilnadu.

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-cyanobiphenyl in National Seminar on Novel Synthetic and Computational Strategies in Chemical Science (SCCS- 2011) 28.3.2011 to 29.3.2011 in Department of Chemistry Annamalai University, Chidambaram, Tamilnadu.

Vibrationl spectroscopic studies supported by HF, DFT calculations of 2, 4, 6-triaminopyrimidine in National seminar on Theoretical and Chemical Sciences (TACS-2008) 22.2.2008 to 23.2.2008 in Department of Chemistry Annamalai University, Chidambaram, Tamilnadu.

The Spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method in National conference on emerging trends in Chemical Research (NCETCR – 2008) 17.10.2008 to 18.10.2008 in Department of Chemistry Annamalai University, Chidambaram, Tamilnadu.

International Conferences:

Experimental (FT-IR, FT-Raman and UV–Vis) spectra and theoretical DFT investigations of 2,3-diaminophenazine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in International Conference on Molecular Spectroscopy of Advanced Materials and Bio molecules in Department of Physics, Bishop Moore College (7.8.2012 to 8.8.2012), Mavelikara, Kerala, India.

DFT based Computational study of 5,6-dimethoxy-1-indanone in International conference on Recent Frontiers in Applied Spectroscopy (ICORFAS – 2010) 22.9.2010 to 24.9.2010 in Department of Chemistry Annamalai University, Chidambaram, Tamilnadu.

Workshops:

Lecture workshop programme on synthetic and structural chemistry, conducted by Department of Chemistry, Annamalai University, Chidambaram, Tamilnadu, 21.3.2009 to 22.3.2009.

Participated in National Seminar on Recent trends in Heteroatom Chemistry Conducted by Department of Chemistry, Annamalai University, Chidambaram, Tamilnadu, 28.3.2007 to 29.3.2007.

Participated in XVII Interdisciplinary Research Methodology workshop Conducted by Department of Economics, Annamalai University, 27.4.2007 to 30.4.2007.

Participated in Emerging Trends in .Physics of Materials organized by Department of Physics, St.Joseph College, Tirchy on 17.2.2006

Participated in National Seminar on Lasers in Technological and Biomedical applications organized by Department of Physics, St.Joseph College, Tirchy.27.1.2005 to 28.1.2005.

Participated in Mission 10X programme conducted at Sri Manakula Vinayagar Engineering College, Madagadipet, Puducherry, organized by Wipro 7.6.2011 to 11.6.2011.

 

Personal Info

D.O.B : 11.08.1982
Mobile : +91 98436 93193
Email : [email protected]
Communication Address : No.42, Church Street, Kombakkam,
Villianur Post – 605110, Pondicherry.