How van der Waals interactions determine the unique properties of water
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https://figshare.com/articles/dataset/How_van_der_Waals_interactions_determine_the_unique_properties_of_water/1497907/1
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Parameter sets for neural network potentials (NNPs) for bulk water based on BLYP and RPBE density-functionals with and without van der Waals (vdW) corrections. These files represent supplementary material for the manuscript: 'How van der Waals interactions determine the properties of water' by<br>Tobias Morawietz, Andreas Singraber, Christoph Dellago, and Jörg Behler Electronic Mail:<br>tobias.morawietz@theochem.ruhr-uni-bochum.de<br>joerg.behler@theochem.ruhr-uni-bochum.de
创建时间：
2015-08-04
