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Spectroscopic (FT-IR, NMR, single crystal XRD) and DFT studies including FMO, Mulliken charges, and Hirshfeld surface analysis, molecular docking and ADME analyses of 2-amino-4′-fluorobenzophenone (FAB)

Rajendran Satheeshkumar, Kolandaivel Prabha, K.N. Vennila, Koray Sayın, Elif Güney, Werner Kaminsky, Roberto Acevedo

2022Journal of Molecular Structure38 citationsDOI

Topics & Concepts

ChemistryADMEMulliken population analysisComputational chemistrySingle crystalAtomic chargeStereochemistryCrystallographyDensity functional theoryMoleculeOrganic chemistryBiochemistryIn vitroSynthesis and biological activityNonlinear Optical Materials ResearchMetal complexes synthesis and properties
Spectroscopic (FT-IR, NMR, single crystal XRD) and DFT studies including FMO, Mulliken charges, and Hirshfeld surface analysis, molecular docking and ADME analyses of 2-amino-4′-fluorobenzophenone (FAB) | Litcius