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Data of the publication: Stability, Speed, and Constraints for Structural Coa...
Jupyter notebook files, tabulated potentials, and simulation files for the publication. -
SFB 1194 - A07 - Concentration Gradients in Evaporating Binary Droplets Probe...
Concentration gradients in evaporating binary droplets probed by spatially resolved Raman and NMR spectroscopy -
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: Where Lennard-Jones Potentials Fail: Iterative Optim...
Jupyter notebook file and simulation data and results -
Code for "A Bayesian framework for incorporating line data uncertainties into...
Code for: "A Bayesian framework for incorporating line data uncertainties into the evaluation of TDLAS traces using spectroscopic fits" (DOI:... -
Data of the publication: Application of the 2PT model to understanding entrop...
Jupyter notebook files, tabulated potentials, simulation files, and density of states for the publication. -
Data of the publication: DosCalc: a parallelized tool to compute degree of fr...
Jupyter notebook file and simulation data and density of states -
Data for "Towards a spatially resolved, single-ended TDLAS system for charact...
This dataset contains the results for spatially resolved TDLAS measurements by in cooperating simultaneous time of flight LiDAR evaluation into the setup. For details on the... -
Data of the thesis Molecular investigation of the energy decay of NADH
The data for the Bachelor Thesis of Julia Keil. It includes DOS calculations and non-equilibrium MD simulations. There are two different force fields, Charm and Amber, and three... -
Thermoresponsivity and Cononsolvency of a Minimal Polymer Model in Mixed Solv...
This data contains the input files, scripts ,and the computed values to reproduce the results in the manuscript titled: Thermoresponsivity and Cononsolvency of a Minimal Polymer... -
Component-resolved dynamics of glass-forming dipeptide-water-mixtures
Datasets of the figures shown in the article with the same title as this submission. Original manuscript submitted to The Journal of Chemical Physics in October 2025. Revised... -
Data for "High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-...
This dataset contains the results (measured mole fractions and estimated uncertainty over time) published in the paper ''High-Sensitivity Gas-Phase Raman Spectroscopy for... -
Data for: A unique piezolyte mechanism of TMAO: Hydrophobic interactions und...
Data for the publication: A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions -
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...
