Data for: "Quantifying the Uncertainty of Force Field Selection on Adsorption Predictions in MOFs"

Dataset

Description

Contains input file for Grand Canonical Monte Carlo (GCMC) simulations of methane adsorption in metal organic frameworks (MOFs) for various force fields using RASPA 2.0.45 and data for the determination of experimental consensus isotherms. Formats include plain text files, .xlsx and .csv. See README for further information.
Date made available28 May 2024
PublisherUniversity of Strathclyde

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