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Volumn 400, Issue 1-3, 1998, Pages 314-328

The steering of molecules in simple dissociation reactions

Author keywords

Atomistic dynamics; Molecular dynamics; Sticking

Indexed keywords

BOND STRENGTH (CHEMICAL); COMPUTER SIMULATION; DISSOCIATION; MOLECULAR ORIENTATION; PROBABILITY;

EID: 0032022389     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00887-X     Document Type: Article
Times cited : (35)

References (46)
  • 3
    • 0348225743 scopus 로고    scopus 로고
    • In this work the term "focussing" was used rather than "steering"
    • In this work the term "focussing" was used rather than "steering".
  • 23
    • 0347595996 scopus 로고    scopus 로고
    • note
    • 2/W ab-initio data. It has no real significance here; the results change little if an exponent of 1.0 is used instead.
  • 27
    • 0347595993 scopus 로고    scopus 로고
    • Actually, this is the "heat of reaction", the difference between the energy of the free molecule and the energy gained by chemisorbing the two atoms
    • Actually, this is the "heat of reaction", the difference between the energy of the free molecule and the energy gained by chemisorbing the two atoms.
  • 29
    • 24544474753 scopus 로고    scopus 로고
    • private communication
    • A. Groß, private communication.
    • Groß, A.1
  • 31
    • 0346335082 scopus 로고    scopus 로고
    • note
    • 2/Pd(100) PES used in Refs. [6,7] has not yet been published.
  • 34
    • 0348225738 scopus 로고    scopus 로고
    • note
    • The slight kinks between 0.1 and 0.15 eV are caused by a change in the trapping behaviour. At low energy, many bounces and snarled trajectories occur, while in this region molecules tend to dissociate after only one bounce across several unit cells. However, we do not believe that this has much significance.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.