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Publication Detail
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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Publication Type:Journal article
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Publication Sub Type:Article
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Authors:Lin I-C, Seitsonen AP, Tavernelli I, Rothlisberger U
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Publisher:AMER CHEMICAL SOC
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Publication date:01/10/2012
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Pagination:3902, 3910
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Journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION
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Volume:8
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Issue:10
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Status:Published
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Print ISSN:1549-9618
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Language:English
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Keywords:Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, GENERALIZED GRADIENT APPROXIMATION, 1ST PRINCIPLES, SIMULATIONS
Abstract
No abstract found
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