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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

2025-01-23

Type

Software

Authors

Abhishek ChattopadhyayORCID 0009-0000-2009-6685
Mandalaparthy, VarunORCID 0000-0002-0709-6514
van der Vegt, NicoORCID 0000-0003-2880-6383

Journal Title

Journal ISSN

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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
 https://doi.org/10.48328/tudatalib-1649

Endorsement

DFG Classification

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

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License

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