Open Access

Data of the publication: Determination of Aqueous Solubility of NaCl in Molecular Dynamics Simulation using the Kirkwood-Buff Method

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solubility_project.zip (1.07 GB)

Date

2025-11-03

Type

Software

Authors

Abhishek ChattopadhyayORCID 0009-0000-2009-6685
Mandalaparthy, Varun
van der Vegt, NicoORCID 0000-0003-2880-6383

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Abstract

Description

This repository holds the data of the publication, "Determination of Aqueous Solubility of NaCl in Molecular Dynamics Simulation using the Kirkwood-Buff Method".

Keywords

Molecular Dynamics Simulation, Solubility, Kirkwood-Buff Theory, Ion Paring, Force Field

Citation

Identifier

https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/4440.2

Endorsement

DFG Classification

3.13-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie

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CC BY 4.0 - Attribution 4.0 International
Except where otherwise noted, this license is described as CC BY 4.0 - Attribution 4.0 International

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 2025-11-03 15:23:53
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 2025-01-23 13:01:42
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