DFT/TD-DFT investigation on Ir(III) complexes with N-heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties. - Tao Liu 004; Bao-Hui Xia; Qing-Chuan Zheng; Xin Zhou; Qing-Jiang Pan; Hong-Xing Zhang (J. Comput. Chem., 2010)