Synthesis, crystal structure, Hirshfeld surface analysis, DFT, molecular docking and molecular dynamic simulation studies of (E)-2,6-bis(4-chlorophenyl)-3-methyl-4-(2-(2,4,6-trichlorophenyl)hydrazono)piperidine derivatives
L. Athishu Anthony, D. Rajaraman, G. Sundararajan, M. Suresh, P. Nethaji, Jaganathan Ramakrishnan, P. Kumaradhas
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMODensity functional theoryPiperidineMoleculeMolecular orbitalDocking (animal)Computational chemistryHydrogen bondCrystallographyDelocalized electronStereochemistryOrganic chemistryMedicineNursingSynthesis and biological activityMetal complexes synthesis and propertiesNonlinear Optical Materials Research