Understanding electronic structures, chemical bonding, and fluxional behavior of Lu<sub>2</sub>@C<sub>2n</sub> (2n = 76-88) by a theoretical study.

Shui, Yuan; Pei, Gerui; Zhao, Pei; Xiong, Mo; Li, Sidian; Ehara, Masahiro; Yang, Tao

Understanding electronic structures, chemical bonding, and fluxional behavior of Lu₂@C_2n (2n = 76-88) by a theoretical study.

Shui, Yuan; Pei, Gerui; Zhao, Pei; Xiong, Mo; Li, Sidian; Ehara, Masahiro; Yang, Tao.

Afiliación

Shui Y; MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
Pei G; MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
Zhao P; Research Center for Computational Science, Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585, Japan.
Xiong M; MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
Li S; Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China.
Ehara M; Research Center for Computational Science, Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585, Japan.
Yang T; MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

J Chem Phys ; 157(18): 184306, 2022 Nov 14.

Article en En | MEDLINE | ID: mdl-36379792

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2022 Tipo del documento: Article País de afiliación: China