Designing a novel material with considerable nonlinear optical responses based on the bicorannulenyl molecule

In this work, a series of molecules decorated with Li atom and donor/acceptor have been theoretically designed based on bicorannulenyl molecule, where incorporating Li and different substitution are used as an effective strategy for enhancing nonlinear optical response. The mixed method is construct...

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Veröffentlicht in:	Journal of molecular modeling 2020-08, Vol.26 (8), p.201-201, Article 201
Hauptverfasser:	Song, Yao-Dong, Wang, Qian-Ting, Ni, Qiang
Format:	Artikel
Sprache:	eng
Schlagworte:	Characterization and Evaluation of Materials Charge transfer Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Molecular Medicine Nitrogen dioxide Nonlinear optics Nonlinear response Optical materials Optics Original Paper Substitutes Theoretical and Computational Chemistry
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