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Investigation of the electronic and optical activity of halogen-substituted 2-nitrotoulene by density functional theory

Shradha Lakhera, Meenakshi Rana, Kamal Devlal

2023Optical and Quantum Electronics16 citationsDOI

Topics & Concepts

PolarizabilityDensity functional theoryMaterials scienceBasis setMoleculeHalogenTime-dependent density functional theoryRaman spectroscopyHybrid functionalBand gapComputational chemistryChemistryOpticsPhysicsOptoelectronicsOrganic chemistryAlkylNonlinear Optical Materials ResearchNonlinear Optical Materials StudiesPhotochemistry and Electron Transfer Studies
Investigation of the electronic and optical activity of halogen-substituted 2-nitrotoulene by density functional theory | Litcius