5 years ago

Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor-acceptor-donor type molecules

Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor-acceptor-donor type molecules
Teck Lip Dexter Tam, Ming Hui Chua, Ting Ting Lin
Here we utilized new diagnostic tools in time-dependent density functional theory to explain the trend of intersystem crossing in benzo(bis)-X-diazole based donor-acceptor-donor type molecules.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/fnlI_GNa07g/C7CP03121A

DOI: 2017/CP/C7CP03121A

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