All-atom molecular dynamics simulations showing the dynamics of small organic molecules in water-solvated polyelectrolyte brush layers

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dc.contributor.authorSmook, Leon A.
dc.contributor.authorIshraaq, Raashiq
dc.contributor.authorAkash, Tanmay Sarkar
dc.contributor.authorde Beer, Sissi
dc.contributor.authorDas, Siddhartha
dc.date.accessioned2026-07-01T23:51:20Z
dc.date.issued2024
dc.description.abstractWe study the absorption of small organic molecules in polyelectrolyte brush layers in atomistic detail for the first time.
dc.description.urihttps://doi.org/10.1039/d4cp02128b
dc.identifierhttps://doi.org/10.13016/8law-7ewj
dc.identifier.citationSmook, L. A., Ishraaq, R., Akash, T. S., De Beer, S., & Das, S. (2024). All-atom molecular dynamics simulations showing the dynamics of small organic molecules in water-solvated polyelectrolyte brush layers. Physical Chemistry Chemical Physics, 26(39), 25557-25566. https://doi.org/10.1039/d4cp02128b
dc.identifier.urihttp://hdl.handle.net/1903/35755
dc.language.isoen
dc.publisherPhysical Chemistry Chemical Physics
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectPolyelectrolyte
dc.subjectBrush
dc.subjectMolecular dynamics
dc.subjectChemical physics
dc.subjectMolecule
dc.subjectAbsorption (acoustics)
dc.subjectChemistry
dc.subjectOrganic molecules
dc.subjectDynamics (music)
dc.subjectMaterials science
dc.subjectComputational chemistry
dc.subjectPolymer
dc.subjectPhysics
dc.subjectOrganic chemistry
dc.titleAll-atom molecular dynamics simulations showing the dynamics of small organic molecules in water-solvated polyelectrolyte brush layers
dc.typearticle
local.equitableAccessSubmissionYes

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