Giant magnetic moment of the core-shell Co13@Mn20 clusters: First-principles calculations. - Qun Jing; Hai-Bin Cao; Gui-Xian Ge; Yuan Xu Wang; Hong-Xia Yan; Ziying Zhang; Yun-Hu Liu (J. Comput. Chem., 2011)

The effect of structure and phase transformation on the mechanical properties of Re2N and the stability of Mn2N. - Xiang Po Du; Veng Cheong Lo; Yuan Xu Wang (J. Comput. Chem., 2012)

Electronic structure and low temperature thermoelectric properties of In24 M8 O48 (M = Ge4+, Sn4+, Ti4+, and Zr4+). - Yu Li Yan; Yuan Xu Wang (J. Comput. Chem., 2012)