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RETRACTED: Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichloride

Farah Manzer Manhas, Aysha Fatima, Indresh Verma, Nazia Siddiqui, S. Muthu, Huda Salem AlSalem, Sandhya Savita, Meenakshi Singh, Saleem Javed

2022Journal of Molecular Structure61 citationsDOI

Topics & Concepts

ChemistryPyridineDocking (animal)Molecular dynamicsBasis setComputational chemistryProton NMRLigand (biochemistry)MoleculeStereochemistryDensity functional theoryOrganic chemistryBiochemistryMedicineReceptorNursingSynthesis and biological activityMetal complexes synthesis and propertiesNonlinear Optical Materials Research
RETRACTED: Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichloride | Litcius