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Volumn 124, Issue 10, 2006, Pages

Bonding and excitation in COCu (001) from a cluster model and density functional treatments

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATE BONDING; ATOMIC BASIS SET; PHOTODESORPTION;

EID: 34547139063     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2180778     Document Type: Article
Times cited : (6)

References (22)
  • 12
    • 33644906306 scopus 로고    scopus 로고
    • Gaussian, Inc., Pittsburgh, PA
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.04, Gaussian, Inc., Pittsburgh, PA, 2003.
    • (2003)
    • Frisch, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 13
    • 33644892399 scopus 로고    scopus 로고
    • Alternative calculations using spherical d functions produced results with similar adsorption energies and bond distances, but their Mulliken charge distributions tended to be higher than expected and were not further considered.
    • Alternative calculations using spherical d functions produced results with similar adsorption energies and bond distances, but their Mulliken charge distributions tended to be higher than expected and were not further considered.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.