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Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model

The understanding of the excited-state properties of electron donors, acceptors and their interfaces in organic optoelectronic devices is a fundamental issue for their performance optimization. In order to obtain a balanced description of the different excitation types for electron-donor-acceptor sy...

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Detalles Bibliográficos
Autores principales:	Xu, Peng, Zhang, Cai-Rong, Wang, Wei, Gong, Ji-Jun, Liu, Zi-Jiang, Chen, Hong-Shan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5979477/ https://www.ncbi.nlm.nih.gov/pubmed/29642604 http://dx.doi.org/10.3390/ijms19041134

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