A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects
Fahimeh Alirezapour, Kourosh Bamdad, Azadeh Khanmohammadi, Narjes Ebrahimi
Topics & Concepts
Natural bond orbitalChemistryMoleculeDensity functional theorySupramolecular chemistryComputational chemistryAtoms in moleculesIonReactivity (psychology)Solvent effectsElectronic structureSolventInteraction energyChemical physicsOrganic chemistryAlternative medicinePathologyMedicineCrystallography and molecular interactionsMetal complexes synthesis and propertiesChemical Thermodynamics and Molecular Structure