Temozolomide binding to Cucurbit[7]uril: QTAIM, NCI-RDG and NBO analyses

Khawla Yahiaoui, Lynda Seridi, Karima Mansouri

2020Journal of Inclusion Phenomena and Macrocyclic Chemistry38 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryAtoms in moleculesIntermolecular forceComputational chemistryDensity functional theorySolvationCovalent bondCrystallographyElectron localization functionChemical physicsMoleculeElectronQuantum mechanicsOrganic chemistryPhysicsCrystallography and molecular interactionsSupramolecular Chemistry and ComplexesBoron Compounds in Chemistry