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Transferable Local Density-Dependent Friction in tert-Butanol/Water Mixtures
This repository contains the data of the publication: 1) simulation data, models 2) local density-dependent Langevin thermostat for LAMMPS 3) analysis scripts 4) figures... -
Data of the publication: A Gauss-Newton method for iterative optimization of ...
Atomistic and coarse-grained models (LAMMPS input), memory kernels, structural and dynamic properties. -
SFB 1194 - A07 - Visualization and Quantification of Local Concentration Grad...
NMR Rohdaten, Raman Mikroskopie Rohdaten, Rohdaten Atmosphärensensor, Rohdaten Seitenkamera, Pythonauswerteskripte für NMR und Raman. -
A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers
This dataset contains input scripts and files to generate the data for the publication titled "A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers". -
SFB 1194 - A07 - Interdiffusion in microfluidic interface rotation between tw...
The data contains python code used as well as all raw data. -
Data of the publication: Determination of Aqueous Solubility of NaCl in Molec...
This repository holds the data of the publication, "Determination of Aqueous Solubility of NaCl in Molecular Dynamics Simulation using the Kirkwood-Buff Method". -
ESI for "In situ vs ex situ: Comparing the structure of PNIPAM microgels at t...
This repository contains the data and code required to reproduce the analysis in "In situ vs ex situ: Comparing the structure of PNIPAM microgels at the air/water and air/solid... -
UV/Vis data
UV/Vis monitoring data of the reaction of guaiazulene and 2,4-dinitrobenzaldehyde (data from UV/Vis-only and combined NMR-UV/Vis monitoring). UV/Vis characterisation data of... -
NMR Data
NMR monitoring data of the reaction of guaiazulene and 2,4-dinitrobenzaldehyde (data from NMR-only and combined NMR-UV/Vis monitoring). NMR characterisation data of species... -
Decoupling of water and ion dynamics in nanophase-segrated mixtures of an ion...
Datasets of the figures shown in the article with the same title as this submission. Original manuscript submitted to Journal of Physics D: Applied Physics in March 2025.... -
Simulated Raman libraries of gaseous CO, H2, N2, O2, CO2, and H2O for high-te...
This dataset accompanies the journal article “Simulated Raman libraries of gaseous CO, H₂, N₂, O₂, CO₂, and H₂O for high-temperature diagnostics”. It provides simulated Raman... -
Accurate simulation of spontaneous Raman scattering of CO2 for high-temperatu...
This dataset supplements the journal paper "Accurate simulation of spontaneous Raman scattering of CO2 for high-temperature diagnostics". It contains line lists of perturbed...
