Supplement Number 1

Name: Supplement Number 1
Published: 2025-08-05T12:09:16+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: DLM/2022, GROMACS, alkali halide

dataset

posted on 2025-08-05, 12:09 authored by Pavlina Mimrova, Jan Dockal, Filip Moucka

Input files for molecular simulations of the DLM/2022-BK3 models using the GROMACS v4.6.5 simulation package

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DOI - Is supplement to Thermochemical properties of anhydrous crystals and molten alkali metal halide salts from molecular simulations of phase-transferable polarizable force fields

Supplement Number 1

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