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

Autor: Peng Xu1,2 gary316@yeah.net, Cai-Rong Zhang1,2,3 zhcrxy@lut.cn, Wei Wang2 wangwei3057@163.com, Ji-Jun Gong2 jijungong@gmail.com, Zi-Jiang Liu4 liuzj_scu@126.com, Hong-Shan Chen3 chenhs@nwnu.edu.cn
Zdroj: International Journal of Molecular Sciences. Apr2018, Vol. 19 Issue 4, p1134. 16p. 2 Diagrams, 5 Charts, 4 Graphs.
Databáze: Academic Search Ultimate