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An effective strategy for tuning nonlinear optical response of N-atom functionalized corannulene by alkali metals doping: First theoretical insight

Rabia Nazir, Junaid Yaqoob, Muhammad Usman Khan, Mazhar Amjad Gilani, Muhammad Usman Alvi, Riaz Hussain, Ghulam Mustafa, Mohammed Mujahid Alam, Muhammad Imran

2021Computational and Theoretical Chemistry40 citationsDOI

Topics & Concepts

HyperpolarizabilityChemistryCorannuleneAtom (system on chip)Natural bond orbitalAlkali metalDopingDensity functional theoryMoleculeComputational chemistryNonlinear opticalNonlinear opticsBand gapChemical physicsPhysical chemistryNonlinear systemOptoelectronicsOrganic chemistryPolarizabilityQuantum mechanicsMaterials sciencePhysicsEmbedded systemComputer scienceNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsPorphyrin and Phthalocyanine Chemistry
An effective strategy for tuning nonlinear optical response of N-atom functionalized corannulene by alkali metals doping: First theoretical insight | Litcius