Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors

Journal of Chemical Physics

Volumn 138, Issue 18, 2013, Pages

  Nguyen, Ngoc Linh ^a   De Gironcoli, Stefano ^a,b   Piccinin, Simone ^a,b  

^a SISSA   (Italy)

^b IOM CNR LABORATORIO TASC   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; ETHYLENE EPOXIDATION; INDUSTRIAL PROCESSS; METAL-OXYGEN BONDS; OXAMETALLACYCLE INTERMEDIATES; OXIDIZING CONDITIONS; REACTION BARRIERS; REACTION MECHANISM;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ETHYLENE; REACTION INTERMEDIATES; SILVER;

CATALYST SELECTIVITY;

COPPER; EPOXIDE; ETHYLENE; ETHYLENE DERIVATIVE; SILVER;

CATALYSIS; CHEMISTRY; QUANTUM THEORY; SYNTHESIS; ARTICLE;

CATALYSIS; COPPER; EPOXY COMPOUNDS; ETHYLENES; QUANTUM THEORY; SILVER;

EID: 84877965979     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4803157     Document Type: Article

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