Investigation of host-guest interactions between polyester dendrimers and ibuprofen using density functional theory (DFT)
Sekineh Bazyari-Delavar, Farideh Badalkhani‐Khamseh, Azadeh Ebrahim‐Habibi, Nasser L. Hadipour
Topics & Concepts
DendrimerChemistryNatural bond orbitalPolyesterDensity functional theoryIntermolecular forcePolarizable continuum modelHydrogen bondComputational chemistryIbuprofenMoleculeSolvent effectsSolventPolymer chemistryOrganic chemistryMedicinePharmacologyDendrimers and Hyperbranched PolymersComputational Drug Discovery MethodsNonlinear Optical Materials Research