Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurationshttps://doi.org/10.26165/JUELICH-DATA/OWA443Jung, DavidHarting, JensSega, MarcelloJülich DATA2021-01-282022-03-15T15:03:48ZGROMACS topologies and equilibrium configurations of ternary mixtures of as presented in the article "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates". The file naming follows the convention as in this example: phi0.01_cs100.gro, where 0.01 stands for the volume fraction (0.01 -> 1 vol-%) of sodium tetraphenylborate and 100 stands for the molar concentration (100 -> 100 mM) of 3-methylpyridine ChemistryPhysicstetraphenylborate3-methylpyridinemolecular dynamicsantagonistic saltsJung D, Harting J, Sega M. Monolayer Structures of Supramolecular Antagonistic Salt Aggregates. J Phys Chem B. 2021 Mar 11;125(9):2351-2359., doi, 10.1021/acs.jpcb.0c10005, https://dx.doi.org/10.1021/acs.jpcb.0c10005Sega, Marcello2021-01-19CC0CC0 Waiver