First-principles simulations of dissociated and molecular hydrogen adsorption on silicon oxide clusters

Journal of Molecular Structure: THEOCHEM

Volumn 941, Issue 1-3, 2010, Pages 71-77

  Zhao, Gao feng ^a   Zhi, Li li ^b   Zhang, Wen qing ^c   Sun, Jian min ^a   Shen, Xue feng ^a   Wang, Yuan xu ^a  

^a HENAN UNIVERSITY   (China)

^b Changji University   (China)

^c HENAN INSTITUTE OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Adsorption; Cluster; DFT; Structure

Indexed keywords

EID: 73749087567     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.11.005     Document Type: Article

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