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Volumn 13, Issue 9, 2011, Pages 3886-3895

A periodic mixed gaussians-plane waves DFT study on simple thiols on Au(111): Adsorbate species, surface reconstruction, and thiols functionalization

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; THIOL DERIVATIVE;

EID: 79952393270     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c0cp02042g     Document Type: Article
Times cited : (37)

References (132)
  • 72
    • 84881333555 scopus 로고    scopus 로고
    • Schrödinger, Portland, OR 97204
    • Jaguar 7.0, Schrödinger, Portland, OR 97204
    • Jaguar 7.0
  • 120
    • 79952401211 scopus 로고    scopus 로고
    • Our preliminary calculations of barrier heights indicates that at the transition state the species possesses significant radical character, indicating again the preference for the homolytic cleavage, G. Rajaraman and F. Totti, in preparation
    • Our preliminary calculations of barrier heights indicates that at the transition state the species possesses significant radical character, indicating again the preference for the homolytic cleavage, G. Rajaraman and F. Totti, in preparation


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.