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P+H: Structures Data

Published in Zenodo (CERN European Organization for Nuclear Research) • Jan 1, 2022
NobleIDNI6P81W70R43S28
Authors:
German Molpeceres de Diego
,
Viktor Zaverkin

Abstract

This dataset was employed in the study of the reaction dynamics of H atoms reacting with P atoms in amorphous solid water. The protocol for the generation of the dataset is highlighted in the publication "Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potential...

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