Experimental, theoretical, hirschfeld surface, electronic excitation and molecular docking studies on fomepizole(4-Methyl-1H-pyrazole)
Km. Pooja, Aysha Fatima, Arun Sharma, Km Garima, Sandhya Savita, Mukesh Kumar, Indresh Verma, Nazia Siddiqui, Saleem Javed
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryIntermolecular forceFukui functionHOMO/LUMOMoleculeComputational chemistryTime-dependent density functional theoryBasis setMolecular orbitalExcited stateAtoms in moleculesChemical physicsAtomic physicsOrganic chemistryPhysicsElectrophileCatalysisNonlinear Optical Materials ResearchSynthesis and biological activityMetal complexes synthesis and properties