Mechanism of the partial oxidation of ethylene on an Ag surface: Dipped adcluster model study

Surface Science

Volumn 384, Issue 1-3, 1997, Pages 315-333

  Nakatsuji, Hiroshi ^a,b,c   Nakai, Hiromi ^d   Ikeda, Keiji ^a   Yamamoto, Yoko ^a  

^a KYOTO UNIVERSITY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

^d WASEDA UNIVERSITY   (Japan)

Author keywords

Ab initio Hartree Fock (HF) and second order M ller Plesset (MP2) methods; Atomic oxygen; Catalytic activity of silver; Combustion; Dipped adcluster model (DAM); Epoxidation; Ethylene oxide; Reaction mechanism; Superoxide

Indexed keywords

ADSORPTION; CATALYSIS; CATALYST ACTIVITY; CHARGE TRANSFER; COMBUSTION; MATHEMATICAL MODELS; OXIDATION; OXYGEN; REACTION KINETICS; SILVER;

DIPPED ADCLUSTER MODEL (DAM); EPOXIDATION; ETHYLENE OXIDE; HARTREE FOCK METHOD; SECOND ORDER MOLLER PLESSET METHOD; SUPEROXIDE;

ETHYLENE;

EID: 0031189126     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00239-2     Document Type: Article

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