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Volumn 90, Issue 7, 2003, Pages

First-principle calculations of the experimental vibrational spectrum of a surface adsorbate: Anharmonic resonance coupling between fundamental and binary modes

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HAMILTONIANS; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; RESONANCE; VIBRATIONS (MECHANICAL);

EID: 12844271272     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (10)

References (27)
  • 19
    • 0012724461 scopus 로고    scopus 로고
    • note
    • The hollow site has been experimentally determined for methoxy on Cu(11); see, e.g., Ref. [3] for a detailed discussion.
  • 24
    • 85088491960 scopus 로고    scopus 로고
    • note
    • 13C isotopomers was performed. The anharmonicity was treated through a general scaling factor. The Fermi resonance coupling was ignored in the calculations but was acknowledged as the phenomena behind some of the vibrational shifts and the high intensities of the observed binary modes.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.