Theoretical Approach towards Benzodithiophene-Based Chromophores with Extended Acceptors for Prediction of Efficient Nonlinear Optical Behaviour
Muhammad Khalid, Rabia Maqsood, Iqra Shafiq, Rabia Baby, Muhammad Adnan Asghar, Sarfraz Ahmed, Saad M. Alshehri, Ataualpa Albert Carmo Braga
Topics & Concepts
Natural bond orbitalMolecular orbitalHOMO/LUMOChromophoreAtomic orbitalMaterials scienceComputational chemistryAcceptorChemistryNonlinear opticalDensity functional theoryNonlinear systemPhotochemistryMoleculeOrganic chemistryPhysicsElectronQuantum mechanicsCondensed matter physicsNonlinear Optical Materials ResearchNonlinear Optical Materials StudiesOrganic Electronics and Photovoltaics