Quantum computational investigation into optoelectronic and topological properties of a synthesized nanocomposite containing Hydroxyapatite-alt-Polyethylene Glycol (HAP/PEG)
Imen Chérif, Dorsaf Bouazzi, Maria Teresa Caccamo, Bouzid Gassoumi, Salvatore Magazù, Béchir Badraoui, Sahbi Ayachi
Topics & Concepts
PolarizabilityNanocompositeNatural bond orbitalMaterials scienceCovalent bondPolyethylene glycolDensity functional theoryIntermolecular forceChemical physicsComputational chemistryChemical engineeringNanotechnologyChemistryOrganic chemistryMoleculeEngineeringNonlinear Optical Materials ResearchCrystal Structures and PropertiesCrystallography and molecular interactions