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

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 11 Jan 2022Publisher:ZenodoFunded by:unidentified, EC | PIPPI
Authors: Herv��-Hansen, Stefan;

doi: 10.5281/zenodo.5836851 , 10.5281/zenodo.5836852

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

Abstract

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

Related Organizations
Keywords

free energy calculations, electronic notebooks, solvation, chemistry, energy representation theory, reproducible science, molecular dynamics, caffeine

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
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