Synthesis, single-crystal exploration, hirshfeld surface analysis, and DFT investigation of the thiosemicarbazones
Muhammad Ashfaq, Akbar Ali, Muhammad Nawaz Tahir, Aleksey E. Kuznetsov, Khurram Shahzad Munawar, Shabbir Muhammad
Topics & Concepts
ChemistryNatural bond orbitalHydrogen bondCondensation reactionIntermolecular forceDensity functional theoryReactivity (psychology)Molecular orbitalCrystal structureCrystallographyBenzoic acidCovalent bondRedoxSingle crystalCrystal (programming language)Computational chemistryMoleculeOrganic chemistryCatalysisComputer scienceAlternative medicineMedicineProgramming languagePathologyMetal complexes synthesis and propertiesCrystal structures of chemical compoundsCrystallography and molecular interactions