Litcius/Paper detail

Synthesis and comparative spectroscopic studies, HOMO–LUMO analysis and molecular docking studies of 3,3′-(1,4-phenylene)bis[2-(6-chloropyridin-3-yl)prop‑2-enenitrile] based on DFT

Çiğdem Yörür Göreci

2022Journal of Molecular Structure27 citationsDOI

Topics & Concepts

ChemistryMoleculeHOMO/LUMODensity functional theoryHeteroatomPhenyleneComputational chemistryCrystallographyDocking (animal)StereochemistryOrganic chemistryRing (chemistry)PolymerMedicineNursingNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activity
Synthesis and comparative spectroscopic studies, HOMO–LUMO analysis and molecular docking studies of 3,3′-(1,4-phenylene)bis[2-(6-chloropyridin-3-yl)prop‑2-enenitrile] based on DFT | Litcius