Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O).
Yao-Xiao ZhaoMeng-Yang LiYiming XiongShirin RahmaniKun YuanRui-Sheng ZhaoMasahiro EharaShigeru NagaseXiang ZhaoPublished in: J. Comput. Chem. (2019)