Synthesis, covalency parameters, energy calculations and crystal features of acylpyrazolone derived pentavalent Uranyl complex along with DFT and Hirshfeld analysis
Maitrey Travadi, R.N. Jadeja, Ray J. Butcher
Topics & Concepts
ChemistryNatural bond orbitalUranylCrystallographyHOMO/LUMOCrystal (programming language)Single crystalCrystal structurePhysical chemistryLigand (biochemistry)Computational chemistryDensity functional theoryMoleculeOrganic chemistryProgramming languageComputer scienceIonReceptorBiochemistryRadioactive element chemistry and processingThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure