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softsimu ab-initio [2 articles]

最近 softsimu さんのライブラリに追加された論文の中から タグ ab-initio. You can also see everyone's ab-initio.
  • A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters
    The Journal of Chemical Physics, Vol. 110, No. 6. (1999), pp. 2810-2821.
    by Glenn J Martyna, Mark E Tuckerman
    posted to ab-initio ewald-summation force-field by softsimu on 2008-01-19 21:22:46 as **
  • Ab inition treatment of large molecules
    by Reinhart Ahlrichs, Simon Elliot, Uwe Huniar
    edited by J Grotendorst
    posted to ab-initio turbomole by softsimu on 2007-12-22 05:18:37 as **
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