Van Der Waals heterogeneous layer-layer carbon nanostructures involving π···H-C-C-H···π···H-C-C-H stacking based on graphene and graphane sheets. - Kun Yuan; Rui-Sheng Zhao; Jia-Jia Zheng; Hong Zheng; Shigeru Nagase; Sheng-Dun Zhao; Yan-Zhi Liu; Xiang Zhao 001 (J. Comput. Chem., 2017)

Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O). - Yao-Xiao Zhao; Meng-Yang Li; Yiming Xiong; Shirin Rahmani; Kun Yuan; Rui-Sheng Zhao; Masahiro Ehara; Shigeru Nagase; Xiang Zhao 001 (J. Comput. Chem., 2019)