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  2. Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
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    Datenpaket: Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"

    Alternativer Identifier:
    -
    Verwandter Identifier:
    (Is Supplement To) 10.1039/D4SM00950A - DOI
    Ersteller/in:
    Strauch, Christian https://orcid.org/0000-0001-9895-3552 [RWTH Aachen University]

    Roß, Lars https://orcid.org/0009-0009-2518-4700 [RWTH Aachen University]

    Schneider, Stefanie https://orcid.org/0000-0002-4399-0388 [RWTH Aachen University]
    Beitragende:
    -
    Titel:
    Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
    Weitere Titel:
    -
    Beschreibung:
    (Abstract) In this study, the uptake of oppositely charged guest molecules in a pH-responsive polyelectrolyte microgel modeled as a bead-spring network was systematically investigated. For this purpose, Monte Carlo simulations were used. To narrow down system complexity, the guest molecules were modeled as c...
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    (Method) Metropolis Monte Carlo simulations
    (Technical Info) Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Clus...
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    Schlagworte:
    Microgels
    drug delivery
    pH-sensitive
    Monte Carlo simulations
    Zugehörige Informationen:
    -
    Sprache:
    Englisch
    Herausgeber/in:
    IPC-RWTH Aachen University
    Erstellungsjahr:
    Fachgebiet:
    Chemistry
    Objekttyp:
    Dataset
    Datenquelle:
    (Instrument) CLAIX2018
    Verwendete Software:
    Software für Datenerhebung
    Software:
    Molsim - 6.4.7
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenerhebung
    Software:
    simlab - 1.0
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    gnuplot - 5.2
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    VMD - 1.9.3
    Alternative Software:
    -
    Datenverarbeitung:
    -
    Erscheinungsjahr:
    Rechteinhaber/in:
    Förderung:
    Deutsche Forschungsgemeinschaft - (SFB 985: Functional Microgels and Microgel Systems) 191948804
    Name Speichervolumen Metadaten Upload Aktion
    Status:
    Publiziert
    Eingestellt von:
    CStrauch
    Erstellt am:
    Archivierungsdatum:
    2024-11-27
    Archivgröße:
    359,0 MB
    Archiversteller:
    nicoleparks
    Archiv-Prüfsumme:
    18009423132cc46fd63a57bdada886a7 (MD5)
    Embargo-Zeitraum:
    -