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Investigating the photolysis of NO2 and influencing factors by using a DFT/TD-DFT method

Xiaoxiang Wang, Lei Zhou, Yifan Liu, Kun Zhang, Guangli Xiu

2020Atmospheric Environment11 citationsDOI

Topics & Concepts

PhotodissociationDissociation (chemistry)Density functional theoryExcited stateChemistryUltravioletPotential energy surfaceMoleculePhotochemistryComputational chemistryChemical physicsPhysical chemistryAtomic physicsMaterials sciencePhysicsOptoelectronicsOrganic chemistryAtmospheric chemistry and aerosolsAtmospheric Ozone and ClimateAir Quality Monitoring and Forecasting
Investigating the photolysis of NO2 and influencing factors by using a DFT/TD-DFT method | Litcius