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Volumn 2, Issue 5, 2006, Pages 409-414

Long time atomistic polymer trajectories from coarse grained simulations: Bisphenol-A polycarbonate

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EID: 33745699759     PISSN: 1744683X     EISSN: 17446848     Source Type: Journal    
DOI: 10.1039/b602076c     Document Type: Article
Times cited : (126)

References (24)
  • 10
    • 0037435686 scopus 로고    scopus 로고
    • (Note that the data for the friction coefficients in Table 3 of that paper are given per bead and for displacements measured in σ.)
    • C. F. Abrams K. Kremer Macromolecules 2003 36 260 267
    • (2003) Macromolecules , vol.36 , pp. 260-267
    • Abrams, C.F.1    Kremer, K.2
  • 18
    • 33745733552 scopus 로고    scopus 로고
    • http://www.gromacs.org/
  • 24
    • 29144483372 scopus 로고    scopus 로고
    • The slightly smaller density for N = 5 led to 1 τ ≈ 26 ps, which is also given in. ref. 6 For the mapping, however, the bead density is relevant, as also the comparison to the longer chains shows Unfortunately all-atom runs for the n = 100, N = 20 system for significantly longer times would require a prohibitive amount of CPU time
    • M. Praprotnik L. Delle Site K. Kremer J. Chem. Phys. 2005 123 224106
    • (2005) J. Chem. Phys. , vol.123 , pp. 224106
    • Praprotnik, M.1    Delle, S.L.2    Kremer, K.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.