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pro vyhledávání: '"Robin Horstmann"'
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