Adsorption of methane on carbon models of coal surface studied by the density functional theory including dispersion correction (DFT-D3)

Computational and Theoretical Chemistry

Volumn 992, Issue , 2012, Pages 37-47

  Qiu, Nian Xiang ^a   Xue, Ying ^a   Guo, Yong ^a   Sun, Wen Jing ^b   Chu, Wei ^b  

^a Sichuan University   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Adsorption; Coal surface; Coronene; DFT D3; Methane

Indexed keywords

EID: 84863102243     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.04.024     Document Type: Article

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