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Volumn 9, Issue 12, 2013, Pages 5550-5557

A polarizable and transferable PHAST N2 potential for use in materials simulation

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Indexed keywords


EID: 84890506560     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct400526a     Document Type: Article
Times cited : (17)

References (71)
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    • The Siepmann Group, University of Minnesota: Minneapolis, MN; (accessed September).
    • TraPPE Force Field and Parameter Database; The Siepmann Group, University of Minnesota: Minneapolis, MN; http://www.chem.umn.edu/groups/siepmann/trappe/ intro.php (accessed September 2013).
    • (2013) TraPPE Force Field and Parameter Database
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    • 0004245506 scopus 로고    scopus 로고
    • version 2010.1, a package of ab initio programs; University College Cardiff Consultants Limited: Cardiff, U.K. see.
    • Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M. MOLPRO, version 2010.1, a package of ab initio programs; University College Cardiff Consultants Limited: Cardiff, U.K., 2010; see http://www.molpro.net.
    • (2010) MOLPRO
    • Werner, H.-J.1    Knowles, P.J.2    Knizia, G.3    Manby, F.R.4    Schütz, M.5
  • 55
    • 3142601562 scopus 로고    scopus 로고
    • Intermolecular Potentials of Mixed Systems: Testing the Lorentz-Berthelot Mixing Rules with Ab Initio Calculations
    • DSTO Aeronautical and Maritime Research Laboratory: Melbourne, Australia.
    • White, A. Intermolecular Potentials of Mixed Systems: Testing the Lorentz-Berthelot Mixing Rules with Ab Initio Calculations. DSTO Aeronautical and Maritime Research Laboratory Technical Report DSTO-TN-0302; DSTO Aeronautical and Maritime Research Laboratory: Melbourne, Australia, 2000.
    • (2000) DSTO Aeronautical and Maritime Research Laboratory Technical Report DSTO-TN-0302
    • White, A.1
  • 57
    • 84890475168 scopus 로고    scopus 로고
    • MPMC is an in-house code developed by Jonathan Belof and maintained by Keith McLaughlin, Christian R. Cioce, Brant Tudor, and Adam Hogan. MPMC is released under GNU Public License and is available on Google Code.
    • Massively Parallel Monte Carlo (MPMC). MPMC is an in-house code developed by Jonathan Belof and maintained by Keith McLaughlin, Christian R. Cioce, Brant Tudor, and Adam Hogan. MPMC is released under GNU Public License and is available on Google Code http://code.google.com/p/mpmc.
    • Massively Parallel Monte Carlo (MPMC)
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    • John Wiley & Sons: Hoboken, NJ
    • Wyckoff, R. W. G. In Crystal Structures; John Wiley & Sons: Hoboken, NJ, 1963; Vol. 1, pp 29-30.
    • (1963) Crystal Structures , vol.1 , pp. 29-30
    • Wyckoff, R.W.G.1
  • 66
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    • Eds. 2 nd ed. American Crystallographic Association: Buffalo, NY
    • Crystal Data Determinative Tables; Donnay, J. D. H.; Donnay, G., Eds., 2 nd ed.; American Crystallographic Association: Buffalo, NY, 1963; p 884.
    • (1963) Crystal Data Determinative Tables , pp. 884
    • Donnay, J.D.H.1    Donnay, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.