Probing the electronic structure of early transition metal oxide clusters: Molecular models towards mechanistic insights into oxide surfaces and catalysis

Chemical Physics Letters

Volumn 500, Issue 4-6, 2010, Pages 185-195

  Zhai, Hua Jin ^a   Wang, Lai Sheng ^a  

^a BROWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITIES; BAND GAPS; BRIDGING OXYGEN; BULK OXIDES; CHEMICAL BONDINGS; CLUSTER SIZES; COMPLEX OXIDES; DIOXYGEN ACTIVATION; DIRADICALS; EARLY TRANSITION METALS; INTRINSIC ELECTRONICS; MOLECULAR MODELS; OXIDE CLUSTERS; OXIDE SURFACE; OXYGEN RADICAL; SUPEROXIDES; TIO;

CATALYSIS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; ENERGY GAP; MOLECULAR MODELING; OXYGEN; SURFACE CHEMISTRY; TANTALUM; TRANSITION METALS;

TRANSITION METAL COMPOUNDS;

EID: 78249281642     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.10.001     Document Type: Article

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