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Volumn 104, Issue 10, 2000, Pages 2378-2390

Adiabatic Nuclear and Electronic Sampling Monte Carlo Simulations in the Gibbs Ensemble: Application to Polarizable Force Fields for Water

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EID: 0000951173     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp992459p     Document Type: Article
Times cited : (68)

References (52)
  • 32
    • 0039835159 scopus 로고    scopus 로고
    • 27 Similar problems are encountered in Car-Parrinello molecular dynamics (Bornemann, F. A.; Schütte, C. Numer. Math. 1998, 78, 359).
    • (1998) Numer. Math. , vol.78 , pp. 359
    • Bornemann, F.A.1    Schütte, C.2
  • 40
  • 45
    • 0347186128 scopus 로고    scopus 로고
    • note
    • In principle, ANES-MC can also be used for Gibbs ensemble simulations with a neutrality constraint on each phase. In this case, a swap move has to involve the transfer of a randomly selected molecule and the transfer of a counter charge randomly taken from the same phase.
  • 52
    • 0346556167 scopus 로고    scopus 로고
    • NIST Chemistry WebBook
    • NIST Chemistry WebBook. http://webbook.nist.gov/chemistry.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.