Density functional studies of thermal activation of methane by gas-phase [Pt(H)(OH)]+

Computational and Theoretical Chemistry

Volumn 980, Issue , 2012, Pages 32-36

  Liu, Shaoli ^a,b   Geng, Zhiyuan ^a,b   Wang, Yongcheng ^a,b   Yan, Yunfeng ^a,b  

^a NORTHWEST NORMAL UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Pd(H)(OH) + toward CH4; DFT; Ligand effect; Reaction mechanism

Indexed keywords

EID: 84555223790     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.11.011     Document Type: Article

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