Computational insights into E/Z isomerism of fluoxastrobin, an antifungal agent: A DFT/TD-DFT study
Sümeyya Seri̇n
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryComputational chemistrySolvationIntermolecular forceGibbs free energyPhysical chemistryMoleculeThermodynamicsOrganic chemistryPhysicsNonlinear Optical Materials ResearchFree Radicals and AntioxidantsMetal complexes synthesis and properties