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Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG–Water Mixtures

S. Gravelle, D. Beyer, M. Brito, A. Schlaich, and C. Holm. The Journal of Physical Chemistry B, 127 (25): 5601--5608 (June 2023)
DOI: 10.1021/acs.jpcb.3c01646

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Dr. Simon Gravelle University of Stuttgart

Hon. -Prof. Dr. -Ing. Volker Simon University of Stuttgart

Univ. -Prof. Dr. -Ing. Sven Simon University of Stuttgart

Carl Simon University of Stuttgart

Kai Simon University of Stuttgart

Other publications of authors with the same name

Transport of thin water films : From thermally activated random walks to hydrodynamicsS. Gravelle, C. Holm, and A. Schlaich. 157 (10): 104702 (2022)Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG–Water MixturesS. Gravelle, D. Beyer, M. Brito, A. Schlaich, and C. Holm. The Journal of Physical Chemistry B, 127 (25): 5601--5608 (June 2023)NMR Investigation of Water in Salt Crusts : Insights from Experiments and Molecular SimulationsS. Gravelle, S. Haber-Pohlmeier, C. Mattea, S. Stapf, C. Holm, and A. Schlaich. Langmuir, 39 (22): 7548-7556 (2023)Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG-Water MixturesS. Gravelle, D. Beyer, M. Brito, A. Schlaich, and C. Holm. The journal of physical chemistry. B, 127 (25): 5601-5608 (2023)Movies of thin film water on rough NaCl surfaceS. Gravelle. Dataset, (2022)Molecular simulation scripts for slit nanopores with tunable hydrophilicityS. Gravelle. (2023)Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"S. Gravelle, D. Beyer, M. Brito, A. Schlaich, and C. Holm. Software, (2024)Related to: Simon Gravelle, David Beyer, Mariano Brito, Alexander Schlaich, Christian Holm: Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining.Movies of thin film water on NaCl(100) surfaceS. Gravelle. Dataset, (2022)Molecular simulation scripts for thin film water on NaCl surfaceS. Gravelle. Dataset, (2022)Preprint: NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular SimulationsS. Gravelle, S. Haber-Pohlmeier, C. Mattea, S. Stapf, C. Holm, and A. Schlaich. (January 2023)