Searching new structures of beryllium-doped in small-sized magnesium clusters: Be2 Mgn Q (Q = 0, -1; n = 1-11) clusters DFT study.

Zeng, Lu; Deng, Ping-Ji; Bi, Jie; Zhu, Ben-Chao

Searching new structures of beryllium-doped in small-sized magnesium clusters: Be₂ Mg_n ^Q (Q = 0, -1; n = 1-11) clusters DFT study.

Zeng, Lu; Deng, Ping-Ji; Bi, Jie; Zhu, Ben-Chao.

Afiliação

Zeng L; College of Materials Science and Engineering, Chongqing University, Chongqing, China.
Deng PJ; School of Public Health and Management, Hubei University of Medicine, Shiyan, China.
Bi J; School of Mathematics and Physics, China University of Geosciences (Wuhan), Wuhan, China.
Zhu BC; School of Public Health and Management, Hubei University of Medicine, Shiyan, China.

J Comput Chem ; 41(21): 1885-1897, 2020 Aug 05.

Article em En | MEDLINE | ID: mdl-32510641

Palavras-chave

Be2MgnQ (Q = 0, −1; n = 1-11); DFT; infrared and Raman spectra; stability; structures

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article