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Surface Science

Volumn 401, Issue 3, 1998, Pages 371-391

Oxidation mechanism of propylene on an Ag surface: Dipped adcluster model study

(3) Hu, Zhen Ming a Nakai, Hiromi a,d Nakatsuji, Hiroshi a,b,c

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; Dipped adcluster model (DAM); Epoxidation vs. complete oxidation; Olefins; Propylene; Superoxide

Indexed keywords

ADSORPTION; CATALYST ACTIVITY; MATHEMATICAL MODELS; NUMERICAL METHODS; OLEFINS; OXIDATION; OXIDES; OXYGEN; PROPYLENE; SILVER;

AB INITIO HARTREE-FOCK METHOD; ATOMIC OXYGEN; DIPPED ADCLUSTER MODEL; EPOXIDATION; SECOND ORDER MOLLER-PLESSET METHOD; SUPEROXIDE;

SURFACES;

EID: 0032046562 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(98)00025-9 Document Type: Article

Times cited : (45)

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