S. Aayisha

Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine

S. Janani, Hemamalini Rajagopal, S. Muthu et al. · Journal of Molecular Structure · 2020 · 199 citations

Biochemistry, Natural Sciences, Chemical Reactivity +4

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

A. Thamarai, R. Vadamalar, M. Raja et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2019 · 110 citations

Molecular Spectroscopy, Molecular Sciences, Engineering +8

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 receptor agonist antihypertensive agent

S. Aayisha, T. S. Renuga Devi, S. Janani et al. · Journal of Molecular Structure · 2019 · 100 citations

Molecular Docking, Molecular Pharmacology, Medicinal Chemistry +13

Evaluation of electronic and biological interactions between N-[4-(Ethylsulfamoyl)phenyl]acetamide and some polar liquids (IEFPCM solvation model) with Fukui function and molecular docking analysis

Gnana Bharathy, Johanan Christian Prasana, S. Muthu et al. · Journal of Molecular Liquids · 2021 · 85 citations

Medicine, Organic Chemistry, Iefpcm Solvation Model +8

PES, molecular structure, spectroscopic (FT-IR, FT-Raman), electronic (UV-Vis, HOMO-LUMO), quantum chemical and biological (docking) studies on a potent membrane permeable inhibitor: dibenzoxepine derivative

S. Sevvanthi, S. Muthu, M. Raja et al. · Heliyon · 2020 · 79 citations · Full text