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Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections

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Description scientific article published on 22 June 2012
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author: Ursula Röthlisberger  Ari P. Seitsonen 

Publication date June 22, 2012
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