Sample simulation files for "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions"
doi: 10.4121/21941327.v1
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doi: 10.4121/21941327
doi: 10.4121/21941327
Datacite citation style:
Parsa Habibi; Ahmadreza Rahbari; Samuel Blazquez; Carlos Vega; Poulumi Dey et. al. (2023): Sample simulation files for "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/21941327.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
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Sample simulations files used for publication titled "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions". Please read the README files for more information and refer to the main manuscript for more details: https://pubs.acs.org/doi/10.1021/acs.jpcb.2c06381
history
- 2023-02-01 first online, published, posted
publisher
4TU.ResearchData
format
LAMMPS and BRICK input / output files.
associated peer-reviewed publication
A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions
organizations
TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department Process & Energy, Engineering Thermodynamics;TU Delft; Faculty of Mechanical, Maritime and Materials Engineering, Department of Materials Science and Engineering;
Depto. Química Física, Fac. Ciencias Químicas, Universidad Complutense de Madrid.
DATA
files (1)
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7,191,233 bytesMD5:
d74ec98067a427420c695657dbcfb81e
Sample files for KOH_NaOH.zip - download all files (zip)
7,191,233 bytes unzipped