Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Sebastian Kloth"'
Autor:
Markus M. Hoffmann, Matthew D. Too, Nathaniel A. Paddock, Robin Horstmann, Sebastian Kloth, Michael Vogel, Gerd Buntkowsky
Publikováno v:
Molecules, Vol 29, Iss 9, p 2070 (2024)
Polyethylene glycol (PEG) is one of the environmentally benign solvent options for green chemistry. It readily absorbs water when exposed to the atmosphere. The Molecular Dynamics (MD) simulations of PEG200, a commercial mixture of low molecular weig
Externí odkaz:
https://doaj.org/article/e7d3b13da855465ba26d18b63e7b6db7
Autor:
Markus M. Hoffmann, Matthew D. Too, Nathaniel A. Paddock, Robin Horstmann, Sebastian Kloth, Michael Vogel, Gerd Buntkowsky
Files needed for molecular simulation using GROMACS (top, gro, itp files) of polyethylene glycol (PEG200) Bash and python scripts to analyze obtained simulation trajectories
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5901106a950b9e8c74f80f5a3cef59c8
https://zenodo.org/record/7540727
https://zenodo.org/record/7540727
Publikováno v:
Langmuir : the ACS journal of surfaces and colloids. 38(21)
Molecular dynamics (MD) simulations are a powerful tool for detailed studies of altered properties of liquids in confinement, in particular, of changed structures and dynamics. They allow, on one hand, for perfect control and systematic variation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e4e4c5fcc61b6d072f841771ffd8753
https://pubmed.ncbi.nlm.nih.gov/35580166
https://pubmed.ncbi.nlm.nih.gov/35580166
Autor:
Tamisra Pal, Michael Vogel, Kurt Kremer, Sebastian Kloth, Joseph F. Rudzinski, Svenja Wörner, Tristan Bereau
Publikováno v:
Journal of Physics: Condensed Matter
Journal of Physics Condensed Matter, 33(22):224001. IOP Publishing Ltd.
Journal of Physics Condensed Matter, 33(22):224001. IOP Publishing Ltd.
Room-temperature ionic liquids (RTILs) stand out among molecular liquids for their rich physicochemical characteristics, including structural and dynamic heterogeneity. The significance of electrostatic interactions in RTILs results in long character
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af25f1fb0bc4b5908da54f74bd750f9c
http://arxiv.org/abs/2102.02761
http://arxiv.org/abs/2102.02761
Autor:
Thomas Blochowicz, Florian Pabst, Aurel Radulescu, Jennifer Kraus, Sebastian Kloth, Margarita Kruteva, Elisa Steinrücken, Michael Vogel
Publikováno v:
The journal of chemical physics 155(17), 174501 (2021). doi:10.1063/5.0066180
Nanoscale water clusters in an ionic liquid matrix, also called "water pockets," were previously found in some mixtures of water with ionic liquids containing hydrophilic anions. However, in these systems, at least partial crystallization occurs upon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a345a3a66b6678efa6ce911e81316c8f
https://juser.fz-juelich.de/record/902167
https://juser.fz-juelich.de/record/902167
Publikováno v:
Journal of Physics: Condensed Matter. 33:204002
We perform molecular dynamics simulations to study the structure and dynamics of the ionic liquid [Omim][TFSI] in a broad temperature range. A particular focus is the progressing nanoscale segregation into polar and nonpolar regions upon cooling. As
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe41d811ce829bf9a32bc0b190e4f976
https://doi.org/10.1088/1361-648x/abe606
https://doi.org/10.1088/1361-648x/abe606
Autor:
Katrin Späte, Sebastian Kloth
Publikováno v:
Kompetenzorientiert Soziologie lehren
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f29dc47201f08be24340c33be63c204
https://doi.org/10.2307/j.ctvhhhgj9.4
https://doi.org/10.2307/j.ctvhhhgj9.4