TGMin: An efficient global minimum searching program for free and surface-supported clusters.

Chen, Xin; Zhao, Ya-Fan; Zhang, Yang-Yang; Li, Jun

Chen, Xin; Zhao, Ya-Fan; Zhang, Yang-Yang; Li, Jun.

Afiliação

Chen X; Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084, China.
Zhao YF; Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084, China.
Zhang YY; Institute of Applied Physics and Computational Mathematics and CAEP Software Center for High Performance Numerical Simulation, Beijing 100088, China.
Li J; Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084, China.

J Comput Chem ; 40(10): 1105-1112, 2019 Apr 15.

Article em En | MEDLINE | ID: mdl-30549064

Palavras-chave

Basin-Hopping; TGMin; boron clusters; photoelectron spectroscopy

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: China

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