<resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"><identifier identifierType="DOI">10.26165/JUELICH-DATA/OWA443</identifier><creators><creator><creatorName nameType="Personal">Jung, David</creatorName><givenName>David</givenName><familyName>Jung</familyName><nameIdentifier nameIdentifierScheme="ORCID">0000-0002-4333-6191</nameIdentifier><affiliation>Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich</affiliation></creator><creator><creatorName nameType="Personal">Harting, Jens</creatorName><givenName>Jens</givenName><familyName>Harting</familyName><nameIdentifier nameIdentifierScheme="ORCID">0000-0002-9200-6623</nameIdentifier><affiliation>Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich</affiliation></creator><creator><creatorName nameType="Personal">Sega, Marcello</creatorName><givenName>Marcello</givenName><familyName>Sega</familyName><nameIdentifier nameIdentifierScheme="ORCID">0000-0002-0031-905X</nameIdentifier><affiliation>Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich</affiliation></creator></creators><titles><title>Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations</title></titles><publisher>Jülich DATA</publisher><publicationYear>2021</publicationYear><subjects><subject>Chemistry</subject><subject>Physics</subject><subject>tetraphenylborate</subject><subject>3-methylpyridine</subject><subject>molecular dynamics</subject><subject>antagonistic salts</subject></subjects><contributors><contributor contributorType="ContactPerson"><contributorName nameType="Personal">Sega, Marcello</contributorName><givenName>Marcello</givenName><familyName>Sega</familyName><affiliation>Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich</affiliation></contributor></contributors><dates><date dateType="Submitted">2021-01-19</date><date dateType="Updated">2022-03-15</date></dates><resourceType resourceTypeGeneral="Dataset"/><relatedIdentifiers><relatedIdentifier relationType="IsCitedBy" relatedIdentifierType="DOI">10.1021/acs.jpcb.0c10005</relatedIdentifier></relatedIdentifiers><sizes><size>72555077</size></sizes><formats><format>application/gzip</format></formats><version>1.1</version><rightsList><rights rightsURI="info:eu-repo/semantics/openAccess"/><rights rightsURI="https://creativecommons.org/publicdomain/zero/1.0/">CC0 Waiver</rights></rightsList><descriptions><description descriptionType="Abstract">GROMACS topologies and equilibrium configurations of ternary mixtures of as presented in the article "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates".&#xd;
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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 </description></descriptions><geoLocations/></resource>