Assistant Professor Contact Details Qualifications
| Degree | University | Year | | Ph.D. | Bharathiar University | Pursuing | | M.Phil. | University of Madras | 2009 | | M.Sc. | University of Madras | 2008 | | B.Sc. | Bharathiar University | 2006 |
Date of Joining the College: 15.03.1985 Areas of Interest - Spectroscopy
- Computational and Quantum Mechanics
Title of the Ph.D. Thesis: Spectroscopic, Quantum computational Investigations, wavefunction and molecular structural analyses on some organic compounds Title of the M.Phil. Thesis: Various Mathematical Techniques for climate analysis Research Publications: - Paper
entitled, “DFT, molecular docking and experimental FT-IR, FT-Raman, NMR inquisitions
on“4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine”:Alpha-2-imidazoline
receptoragonist antihypertensive agent”, J. Mol. Struct, 1186
(2019) 468-481. S. Aayisha, T.S. Renuga Devi, S. Janani, S. Muthu, M. Raja, S. Sevvanthi
- Paper entitled, “Structural (PES), AIM, Spectroscopic
profiling (FT-IR, FT-Raman, NMR and UV), HOMO-LUMO and Docking studies of
2,2-dimethyl-N-(2-pyridinyl)propanamide – a DFT approach”, Chemical data
collections, 24 (2019) 100287. S. Aayisha, T.S. Renuga Devi, S.
Janani, S. Muthu, M. Raja, R. Hemamalini
- Paper entitled, “Vibrational and Computational analysis
for molecular structure properties
of N-(2-(Trifluoromethyl)phenyl)acetamide: Density functional theory
approach”, Spectrosc. Lett, 52 (9) (2019) 563-576. S.
Aayisha, T.S. Renuga Devi, S. Janani, S. Muthu, M. Raja, S. Sevvanthi, Br.
RajaramanPaper
entitled, “Spectroscopic inspection
(FT-IR, FT-Raman), NLO and AIM study on
3-(10,11-dihydro-5Hdibenzo[a,d]cycloheptene-5-ylidene)-N,Ndimethylpropan-1-amine:
A DFT approach”, IJRAR,
6(2) (2019) 339-348. S. Aayisha, T.S. Renuga Devi, S. Janani, S. Muthu,
M. Raja, S. Sevvanthi
- Paper
entitled, “Molecular structure
interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV–Vis,
HOMO-LUMO and NLO) properties and biological evaluation of
(2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and
computational modeling approach”, Spectrochim Acta A, 226 (2020) 117609. R.Vadamalar, M.Raja, S.Muthu, B.Narayana, P.Ramesh, R.
RajMuhamed, S.Sevvanthi S.Aayisha
- Paper entitled, “Spectroscopic and DFT studies,
structural determination, chemical properties and molecular docking of
1-(3-bromo-2-thienyl)-3-[4-(dimethylamino)-phenyl]prop-2-en-1-one”, J. Mol. Struct,
1200 (2020) 127123. P.Ramesh, M.Lydia Caroline, S.Muthu, B.Narayana, M.Raja, S.Aayisha
- Paper entitled, “Spectroscopic, Hirshfeld surface,
charge transfer excitation, condensed Fukui function and molecular docking
investigations of 1-(3-Bromo-2-thienyl)-3-(4-butoxyphenyl)‑prop-2-en-1-one”, Chemical
Data Collections,
24 (2019)100309. P.Ramesh, M.Lydia Caroline, S.Muthu, B.Narayana, M.Raja, S.Aayisha
- Paper entitled, “Molecular structure
conformational analyses, solvent-electronic studies through theoretical studies
and biological profiling of
(2E)-1-(3-bromo-2-thienyl)-3-(4-chlorophenyl)-prop-2-en-1-one”, J. Mol. Struct, 1202 (2020)127349. A.Thamarai, R.Vadamalar, M.Raja, S.Muthu, B.Narayana, P.Ramesh, S.Sevvanthi, S.Aayisha
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