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Volumn 381, Issue 2-3, 1997, Pages

Ab initio molecular dynamics of H2 desorption from Si(100)-2 × 1

Author keywords

Ab initio quantum chemical methods and calculations; Hydrogen; Models of surface chemical reactions; Molecular dynamics; Silicon

Indexed keywords

ATOMS; DESORPTION; HYDROGEN; MOLECULAR DYNAMICS; SEMICONDUCTING SILICON;

EID: 0031169411     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00124-6     Document Type: Article
Times cited : (27)

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    • By velocity guesses we mean the velocities before they are adjusted to set the system temperature to 780 K and to set the total linear and angular momentum of the system to zero
    • By velocity guesses we mean the velocities before they are adjusted to set the system temperature to 780 K and to set the total linear and angular momentum of the system to zero.


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