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 0001. Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O). Journal of Computational Chemistry, 40(31):2730-2738, 2019. [doi]

@article{ZhaoLXRYZENZ19,
  title = {Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O)},
  author = {Yao-Xiao Zhao and Meng-yang Li and Yiming Xiong and Shirin Rahmani and Kun Yuan and Rui-Sheng Zhao and Masahiro Ehara and Shigeru Nagase and Xiang Zhao 0001},
  year = {2019},
  doi = {10.1002/jcc.26049},
  url = {https://doi.org/10.1002/jcc.26049},
  researchr = {https://researchr.org/publication/ZhaoLXRYZENZ19},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {40},
  number = {31},
  pages = {2730-2738},
}