Litcius/Paper detail

Vibrational spectroscopic, quantum computational (DFT), reactivity (ELF, LOL and Fukui), molecular docking studies and molecular dynamic simulation on (6-methoxy-2-oxo-2H-chromen-4-yl) methyl morpholine-4-carbodithioate

V.S. Jeba Reeda, V. Bena Jothy

2022Journal of Molecular Liquids61 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryMolecular dynamicsComputational chemistryMolecular orbitalMorpholineDocking (animal)Molecular modelMoleculeMolecular descriptorFragment molecular orbitalHOMO/LUMODensity functional theoryStereochemistryOrganic chemistryQuantitative structure–activity relationshipNursingMedicineNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds
Vibrational spectroscopic, quantum computational (DFT), reactivity (ELF, LOL and Fukui), molecular docking studies and molecular dynamic simulation on (6-methoxy-2-oxo-2H-chromen-4-yl) methyl morpholine-4-carbodithioate | Litcius