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Complex of 4-(2-aminophenyl) −1,2,3- thiadiazole with 2,3-dichloro- 5,6-dicyano-1,4-benzoquinone: Experimental study and investigation at different exchange-correlation functionals. DOS, NBO, QTAIM and RDG analyses

Hadjer Bougherara, Rayene Kadri, Mekki Kadri, M. Yekhlef, A. Boumaza

2020Journal of Molecular Structure24 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryComputational chemistryAtoms in moleculesReactivity (psychology)StackingBenzoquinoneDensity functional theoryMoleculeOrganic chemistryAlternative medicineMedicinePathologyNonlinear Optical Materials ResearchFree Radicals and AntioxidantsStructural and Chemical Analysis of Organic and Inorganic Compounds
Complex of 4-(2-aminophenyl) −1,2,3- thiadiazole with 2,3-dichloro- 5,6-dicyano-1,4-benzoquinone: Experimental study and investigation at different exchange-correlation functionals. DOS, NBO, QTAIM and RDG analyses | Litcius