Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties
Y. Sheena Mary, Y. Sheena Mary, Y. Shyma Mary, Y. Shyma Mary, Stevan Armaković, Sanja J. Armaković, Martin Krátký, Jarmila Vinšová, Cecilia Baraldi, Maria Cristina Gamberini
Topics & Concepts
ChemistryMoleculeDocking (animal)Computational chemistryRaman scatteringDensity functional theoryAutoxidationRaman spectroscopyMetalSolventOrganic chemistryMedicinePhysicsOpticsNursingNonlinear Optical Materials ResearchFree Radicals and AntioxidantsMetal complexes synthesis and properties