Solvent polarizability modulated the electronic state of conjugated long-chain polyene molecules by DFT
Lü Xing, Xiumian Cao, Zhenguo Dou, Shenghan Wang, Wei Zhang, Chenglin Sun, Zhiwei Men
Topics & Concepts
PolyenePolarizabilityConjugated systemMoleculeChain (unit)ChemistrySolventComputational chemistryPhotochemistryChemical physicsOrganic chemistryPhysicsQuantum mechanicsPolymerPorphyrin and Phthalocyanine ChemistrySpectroscopy and Quantum Chemical StudiesPhotosynthetic Processes and Mechanisms