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A fast species redistribution approach to accelerate the kinetic Monte Carlo simulation for heterogeneous catalysis.
Cao, Xiao-Ming; Shao, Zheng-Jiang; Hu, P.
Afiliação
  • Cao XM; Key Laboratory for Advanced Materials, Centre for Computational Chemistry and Research Institute of Industrial Catalysis, School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, P. R. China. xmcao@ecust.edu.cn.
  • Shao ZJ; Key Laboratory for Advanced Materials, Centre for Computational Chemistry and Research Institute of Industrial Catalysis, School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, P. R. China. xmcao@ecust.edu.cn.
  • Hu P; Key Laboratory for Advanced Materials, Centre for Computational Chemistry and Research Institute of Industrial Catalysis, School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, P. R. China. xmcao@ecust.edu.cn and School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG, UK.
Phys Chem Chem Phys ; 22(14): 7348-7364, 2020 Apr 08.
Article em En | MEDLINE | ID: mdl-32211648

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

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