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

✍ Scribed by Zhen-Ming Hu; Hiromi Nakai; Hiroshi Nakatsuji

Book ID
117218343
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
499 KB
Volume
401
Category
Article
ISSN
0039-6028

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Mechanism of methanol synthesis on Cu(10
Mechanism of methanol synthesis on Cu(100) and Zn/Cu(100) surfaces: Comparative dipped adcluster model study
✍ Hiroshi Nakatsuji; Zhen-Ming Hu πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 394 KB

The mechanism of methanol synthesis from CO 2 and H 2 on Cu(100) and Zn/Cu(100) surfaces was studied using the dipped adcluster model (DAM) combined with ab initio Hartree-Fock (HF) and second-order MΓΈller-Plesset (MP2) calculations. On clean Cu(100) surface, our calculations show that five successi