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Density-functional study of luminescence in polypyridine ruthenium complexes.

Authors :
Muhavini Wawire, C.
Jouvenot, Damien
Loiseau, Frédérique
Baudin, Pablo
Liatard, Sébastien
Njenga, Lydia
Kamau, Geoffrey N.
Casida, Mark E.
Source :
Journal of Photochemistry & Photobiology A: Chemistry. Feb2014, Vol. 276, p8-15. 8p.
Publication Year :
2014

Abstract

Highlights: [•] Modeling TD-DFT reproduction of X-ray strusctures and absorption spectra. [•] Formulating computationally cheap supporting design of photochemical molecular devices. [•] PDOS prediction of luminescence and non-luminescence in complexes. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
10106030
Volume :
276
Database :
Academic Search Index
Journal :
Journal of Photochemistry & Photobiology A: Chemistry
Publication Type :
Academic Journal
Accession number :
93700818
Full Text :
https://doi.org/10.1016/j.jphotochem.2013.10.018