Toxic potential of Poly-hexamethylene biguanide hydrochloride (PHMB): A DFT, AIM and NCI analysis study with solvent effects
Sibel Çelik, Emine Tanış
Topics & Concepts
ChemistryNatural bond orbitalBiguanideHydrogen bondSolventMoleculeDelocalized electronCovalent bondAtoms in moleculesIntermolecular forceComputational chemistryPhotochemistrySolvent effectsDensity functional theoryInorganic chemistryOrganic chemistryMetforminDiabetes mellitusMedicineEndocrinologyFree Radicals and AntioxidantsCrystallography and molecular interactionsPhotochemistry and Electron Transfer Studies