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Volumn 101, Issue 5, 1997, Pages 771-773

Diffusion of a butanethiolate molecule on a Au{111} surface

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; COMPUTER SIMULATION; DIFFUSION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES; ORGANIC COMPOUNDS; ROTATION; SURFACES;

EID: 0030838154     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962281w     Document Type: Article
Times cited : (77)

References (28)
  • 21
    • 0028466082 scopus 로고
    • These authors used a 12-3 Lennard-Jones term for atom-atom interactions. We feel that a 12-6 term is more appropriate for atom-atom interactions, whereas a 12-3 interaction is for an atom-surface interaction which only depends on the height of the atom above the surface
    • Tupper, K. J.; Brenner, D. W. Langmuir 1994, 10, 2335. These authors used a 12-3 Lennard-Jones term for atom-atom interactions. We feel that a 12-6 term is more appropriate for atom-atom interactions, whereas a 12-3 interaction is for an atom-surface interaction which only depends on the height of the atom above the surface.
    • (1994) Langmuir , vol.10 , pp. 2335
    • Tupper, K.J.1    Brenner, D.W.2
  • 25
    • 85088810489 scopus 로고    scopus 로고
    • note
    • 3 energetics on Au{111} by K. M. Beardmore (private communication) in which they find the surface to be quite smooth.
  • 26
    • 85088810211 scopus 로고    scopus 로고
    • note
    • -1.
  • 27
    • 5844357113 scopus 로고    scopus 로고
    • Honors Thesis, The Pennsylvania State University, University Park
    • Wood, J. Honors Thesis, The Pennsylvania State University, University Park, 1996.
    • (1996)
    • Wood, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.