Synthesis, design, DFT Modeling, Hirshfeld Surface Analysis, crystal structure, anti-oxidant capacity and anti-nociceptive activity of dimethylphenylcarbamothioylphosphonate
Rania Omrani, Ridha Ben Ali, Wafa Selmi, Youssef Arfaoui, Michèle Véronique El May, Azaı̈ez Ben Akacha
Topics & Concepts
ChemistryMonoclinic crystal systemHOMO/LUMOCrystal (programming language)CrystallographyCrystal structureDensity functional theoryMoleculePotential energy surfaceElectrophileComputational chemistryStereochemistryOrganic chemistryCatalysisComputer scienceProgramming languageSynthesis and biological activitySynthesis and Reactivity of Sulfur-Containing CompoundsSynthesis and Characterization of Heterocyclic Compounds