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 · 387 citations

Natural Sciences, Chemistry, Physics +17

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 · 263 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

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 · 228 citations

Natural Sciences, Chemistry, Medicinal Chemistry +12

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 · 207 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods

N. R. Sheela, S. Muthu, S. Sampathkrishnan · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 176 citations

Natural Sciences, Chemistry, Physics +14