Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid
Sandhya Savita, Aysha Fatima, Km Garima, Km. Pooja, Indresh Verma, Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryIntermolecular forceMoleculeAtoms in moleculesBasis setHOMO/LUMOCrystallographyComputational chemistryChemical shiftMolecular geometryDocking (animal)Hydrogen bondBond lengthDihedral angleCrystal structurePhysical chemistryOrganic chemistryMedicineNursingNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesFree Radicals and Antioxidants