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DFT/TD-DFT investigation on IrIII complexes with N-heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties.

by: Tao Liu, Bao-Hui Xia, Qing-Chuan Zheng, Xin Zhou, Qing-Jiang Pan, and Hong-Xing Zhang
In: Journal of Computational Chemistry, Vol. 31, Nr. 3 (2010) , p. 628-638.
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