DFT calculations, Hirshfeld surface analysis and docking studies of 3-anisaldehyde thiosemicarbazone
Mridula Guin, Sonia Khanna, S. Begam Elavarasi, Paratpar Sarkar
Topics & Concepts
ChemistrySemicarbazoneDocking (animal)Computational chemistryIntermolecular forceQuantum chemicalMoleculeQuantum chemistryPotential energy surfaceElectronic structureStereochemistryCrystallographyOrganic chemistrySupramolecular chemistryMedicineNursingMetal complexes synthesis and propertiesNonlinear Optical Materials ResearchSynthesis and biological activity