Experimental and theoretical investigations on electronic structure of 5-(hydroxymethyl)-2-furaldehyde: An antisickling agent identified from terminalia bellirica
P. Rajkumar, S. Selvaraj, R. V. Suganya, M. Kesavan, Goncagül Serdaroğlu, S. Gunasekaran, S. Kumaresan
Topics & Concepts
Natural bond orbitalHydroxymethylChemistryComputational chemistryIonization energyDensity functional theoryElectronic structureAtomic orbitalIonizationPhysical chemistryOrganic chemistryPhysicsQuantum mechanicsElectronIonFree Radicals and AntioxidantsNonlinear Optical Materials ResearchBioactive Compounds and Antitumor Agents