S
S. Muthu
Researcher at Sri Venkateswara College of Engineering
Publications - 147
Citations - 3132
S. Muthu is an academic researcher from Sri Venkateswara College of Engineering. The author has contributed to research in topics: Natural bond orbital & HOMO/LUMO. The author has an hindex of 27, co-authored 98 publications receiving 1871 citations. Previous affiliations of S. Muthu include Sri Venkateswara College & Sri Venkateshwara College of Engineering, Bangalore.
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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
TL;DR: In this paper, the authors synthesized and characterized the (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide (15BHS) by FT-IR, FT-Raman, UV, 1HNMR and 13CNMR spectral analysis.
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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
TL;DR: In this article , the experimental (x-ray, FT-IR NMR and UV-Vis) and theoretical researches of N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide molecule were conducted.
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Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug
TL;DR: Valacy Clovir is the l-valyl ester prodrug of the antiviral drug acyclovir that exhibits activity against Herpes simplex virus types and varicella zoster virus and antiviral activities of the title compound against various viral proteins were studied using molecular docking.
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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 +1 more
TL;DR: Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis and linear polarizability and the first order hyperpolarizability values of the investigated molecule have been computed using DFT quantum mechanical calculations.
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Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method
TL;DR: Experimental and theoretical investigations on the molecular structure, electronic and vibrational characteristics of 2-Amino-3-bromo-5-nitropyridine show that the title compound might be a good candidate for NLO material.