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Supporting data; sulfur vapour modelling

dataset
posted on 23.10.2015, 10:50 by Adam Jackson, Davide Tiana, Aron Walsh

Supporting data for work on thermodynamic equilibrium of sulfur vapours: raw files from density functional theory (DFT) calculations with FHI-aims; structure set from evolutionary search; summary of frequency data by sulfur allotrope and calculation method.

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