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Part 1: Document Description
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Citation |
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Title: |
Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations |
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Identification Number: |
doi:10.26165/JUELICH-DATA/OWA443 |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2021-01-28 |
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Version: |
1 |
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Bibliographic Citation: |
Jung, David; Harting, Jens; Sega, Marcello, 2021, "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations", https://doi.org/10.26165/JUELICH-DATA/OWA443, Jülich DATA, V1 |
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Citation |
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Title: |
Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations |
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Identification Number: |
doi:10.26165/JUELICH-DATA/OWA443 |
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Authoring Entity: |
Jung, David (Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich) |
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Harting, Jens (Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich) |
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Sega, Marcello (Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich) |
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Distributor: |
Jülich DATA |
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Access Authority: |
Sega, Marcello |
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Depositor: |
Sega, Marcello |
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Date of Deposit: |
2021-01-19 |
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Study Scope |
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Keywords: |
Chemistry, Physics, tetraphenylborate, 3-methylpyridine, molecular dynamics, antagonistic salts |
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Abstract: |
GROMACS 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 |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Notes: |
CC0 Waiver |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Identification Number: |
10.1021/acs.jpcb.0c10005 |
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Bibliographic Citation: |
Jung D, Harting J, Sega M. Monolayer Structures of Supramolecular Antagonistic Salt Aggregates. J Phys Chem B. 2021 Mar 11;125(9):2351-2359. |
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Label: |
Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations.tgz |
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Notes: |
application/gzip |