Electronic structures and optical properties of BiOX (X = F, Cl, Br, I) via DFT calculations. - Wen Lai Huang (J. Comput. Chem., 2009)

First-principles calculations on the energetics, electronic structures and magnetism of SrFeO2. - Wen Lai Huang (J. Comput. Chem., 2009)

DFT calculations on the electronic structures of BiOX (X = F, Cl, Br, I) photocatalysts with and without semicore Bi 5d states. - Wen Lai Huang; Qingshan Zhu (J. Comput. Chem., 2009)