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ZENODO
Dataset . 2025
Data sources: ZENODO
ZENODO
Dataset . 2025
Data sources: Datacite
ZENODO
Dataset . 2025
Data sources: Datacite
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Claim

AMOEBA force field parameters for choline chloride–based deep eutectic solvents

Research datakeyboard_double_arrow_right Dataset 18 Sep 2025Publisher:Zenodo
Authors: Rakhat, Alakenova; Torabifard, Hedieh;

doi: 10.5281/zenodo.17155962 , 10.5281/zenodo.17155961

AMOEBA force field parameters for choline chloride–based deep eutectic solvents

Abstract

This dataset contains AMOEBA polarizable force field parameter files developed for choline chloride–based deep eutectic solvents (DESs). Parameters were generated for choline chloride, urea, malonic acid, ethylene glycol, and glycerol following the standard AMOEBA parameterization protocol with targeted charge scaling, as described in the associated JPCL manuscript. These files enable molecular dynamics simulations of DESs with improved accuracy in reproducing experimental self-diffusion coefficients.

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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