Ms. S. Aayisha
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