Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride
Aysha Fatima, Ghazala Khanum, Arun Sharma, Km Garima, Sandhya Savita, Indresh Verma, Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryNatural bond orbitalIntermolecular forceDensity functional theoryMolecular geometryMoleculeComputational chemistryChemical shiftCarbon-13 NMRBasis setBond lengthCrystallographyCrystal structurePhysical chemistryStereochemistryOrganic chemistryNonlinear Optical Materials ResearchSynthesis and biological activityInorganic and Organometallic Chemistry