Structure and adsorption properties of MoO3: Insights from periodic density functional calculations

Journal of Molecular Modeling

Volumn 7, Issue 7, 2001, Pages 207-215

  Yin, Xilin ^a,b   Han, Huanmei ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b QUEEN S UNIVERSITY   (Canada)

Author keywords

Adsorption; Density functional calculations; Molybdenum trioxide; MoO3 bulk; MoO3 surface

Indexed keywords

MOLYBDENUM COMPLEX; OXYGEN DERIVATIVE; WATER;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENSITY; ELECTRONICS; GEOMETRY; HYDROGEN BOND; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

EID: 0035788951     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/S008940100037     Document Type: Article

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