Published January 11, 2022 | Version v1.0.0
Software Open

Electronic Notebook: Anion-Cation Contrast of Caffeine Solvation in Salt Solutions

Authors/Creators

  • 1. Division of Theoretical Chemistry, Department of Chemistry, Lund University, Sweden

Contributors

  • 1. Department of Physical Chemistry, University of Chemistry and Technology, Prague, Czech Republic
  • 2. Division of Theoretical Chemistry, Department of Chemistry, Lund University, Sweden
  • 3. Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Japan

Description

This repository contains electronic notebooks (Jupyter) for reproducing the simulation results in the work titled above

Files

SHervoe-Hansen/Caffeine_solubility-v1.0.0.zip

Files (1.8 GB)

Name Size Download all
md5:ce25be44e6ae179069074533dffe0aaa
1.8 GB Preview Download

Additional details

Related works

Is supplement to
https://github.com/SHervoe-Hansen/Caffeine_solubility (URL)
10.1039/D1CP04129K (DOI)