S. Muthu

Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

Necmi Dege, Halil Gökçe, Onur Erman Doĝan et al. · Colloids and Surfaces A Physicochemical and Engineering Aspects · 2022 · 366 citations

Medicine, Natural Sciences, Different Solvents +10

Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug

Fathima Rizwana B, Johanan Christian Prasana, S. Muthu et al. · Computational Biology and Chemistry · 2018 · 252 citations

Molecular Docking Studies, Medicinal Chemistry, Biochemistry +12

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide

M. Raja, R. Raj Muhamed, S. Muthu et al. · Journal of Molecular Structure · 2017 · 224 citations

Combinatorial Chemistry, Engineering, Fukui Function +6

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

Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method

S. Muthu, J. Uma Maheswari · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 169 citations

First Order Hyperpolarizability, Engineering, Natural Sciences +8