MD Simulation Data supporting the publication “Hydrogen Bond Redistribution Effects in Mixtures of Protic Ionic Liquids Sharing the Same Cation: Nonideal Mixing With Large Negative Mixing Enthalpies”: [research data] Paschek, Dietmar (VerfasserIn) Golub, Benjamin (VerfasserIn) Ludwig, Ralf , 1961- (VerfasserIn) Computerdaten Forschungsdaten 2019 2019 eng electronicelectronic resourceremoteComputermedienOnline-Ressource1 Online-Ressource The following data set includes the force field and parameter files as well as start configurations which were used to run molecular dynamics simulations with Gromacs 5.0.6. of the mixture of [TEA][OTf] with [TEA][OMs]. Furthermore, the calculated excess enthalpies as well as densities, potential energies and fractions of hydrogen bonds between the TEA-cation and the OTf-anion or OMs-anion are given.<eng> Open Access Namensnennung - Nicht kommerziell 4.0 International Dietmar Paschek, Benjamin Golub, Ralf Ludwig 540 http://purl.uni-rostock.de/rosdok/id00003537 10.1039/D2CP01209J doi: 10.18453/rosdok_id00003537 oclc: 1304805931 ppn: (DE-627)1795358823