Ms. S. Aayisha

Assistant Professor

Contact Details

Email: janaki@gmail.com

Qualifications

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:

1. 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

   1. 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

   2. 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

2. 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

3. 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

4. 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

5. 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