Reactivity of gas-phase, crystal and supported V2O5 systems studied using density functional theory based reactivity indices

Chemical Physics Letters

Volumn 456, Issue 1-3, 2008, Pages 59-63

  Calatayud, M ^a   Tielens, F ^a   De Proft, F ^b  

^a SORBONNE UNIVERSITÉ   (France)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; CHEMICAL REACTIVITY; ELECTROSTATICS; SINGLE CRYSTALS;

ELECTROSTATIC POTENTIAL; FUKUI FUNCTION; OXYGEN SITES; QUANTITATIVE PARAMETERS;

DENSITY FUNCTIONAL THEORY;

EID: 41749120959     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.03.007     Document Type: Article

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