Low energy minima in the chlorate + 8H2O landscape from Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters

Low energy minima in the chlorate + 8H2O landscape from Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters

Structures and energies in kcal/mol for pictured low energy minima in the landscape for chlorate ions with 8 water molecules in XYZ format.

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Bibliographische Detailangaben
Hauptverfasser: Hey, John C., Doyle, Emily J., Chen, Yuting, Johnston, Roy L.
Format: Dataset
Sprache:eng
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Zusammenfassung:Structures and energies in kcal/mol for pictured low energy minima in the landscape for chlorate ions with 8 water molecules in XYZ format.
DOI:10.6084/m9.figshare.5753415