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Supplementary data to RAL Technical Report \"Ab initio interpretation of neutron scattering data for aqueous solutions\"

Nicole Holzmann & Leonardo Bernasconi
This dataset contains a collection of scripts, input and output files as supplementary data to the RAL Technical Report "Ab initio interpretation of neutron scattering data for aqueous solutions". The Technical Report aims to enable the reader to carry out AIMD (ab inito molecular dynamics) simulations from freely accessible Software and to compare the results with EPSR data based on neutron scattering experiments. The data stored contains example input files for some of these programs...

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Registration Year

  • 2018
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