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Volumn 125, Issue 19, 2003, Pages 5620-5621

New insights into ethene epoxidation on two oxidized Ag{111} surfaces

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENE; SILVER;

EID: 0038634994     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0297741     Document Type: Article
Times cited : (114)

References (17)
  • 8
    • 2442537377 scopus 로고    scopus 로고
    • Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15; Phys. Rev. B 1996, 54, 11169.
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
  • 10
    • 11944256577 scopus 로고    scopus 로고
    • CASTEP 4.2 Academic Version, licensed under the UKCP-MSI Agreement, 1999; Payne, M. C., et al. Rev. Mod. Phys. 1992, 64, 1045.
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
    • Payne, M.C.1
  • 13
    • 0038813489 scopus 로고    scopus 로고
    • note
    • Some discrepancy is found with the relative stability of the OMME and epoxide states as compared to the DFT results of ref 6. Possibly this is due to the different surface models used here and in ref 6.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.