Structures, mechanisms, and kinetics of ammoxidation and selective oxidation of propane over the M2 phase of MoVNbTeO catalysts

Topics in Catalysis

Volumn 54, Issue 10-12, 2011, Pages 659-668

  Goddard III, William A ^a   Liu, Lianchi ^a   Mueller, Jonathan E ^a   Pudar, Sanja ^a   Nielsen, Robert J ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Acrylonitrile; Ammoxidation; M1 phase; M2 phase; Mechanism; Mixed metal oxide; Propane; ReaxFF; Theory

Indexed keywords

ACRYLONITRILE; AMMOXIDATION; M1-PHASE; M2 PHASE; MIXED METAL OXIDE; REAXFF; THEORY;

ATOMS; CALCULATIONS; CATALYSTS; CHEMICAL ACTIVATION; MECHANISMS; METALLIC COMPOUNDS; METALS; MOLECULAR DYNAMICS; MOLYBDENUM; MOLYBDENUM OXIDE; MONTE CARLO METHODS; PROPANE; PROPYLENE; QUANTUM THEORY; REACTION KINETICS; SURFACE CHEMISTRY; THREE DIMENSIONAL;

DYNAMICS;

EID: 80051599447     PISSN: 10225528     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11244-011-9688-8     Document Type: Article

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