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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Intramolecular Reactions in Ionized Ammonia Clusters: A Direct Ab Initio Molecular Dynamics Study

Hiroto Tachikawa1

  • 1Division of Applied Chemistry, Faculty of Engineering, Hokkaido University, Sapporo 060-8628, Japan.

The Journal of Physical Chemistry. A
|February 13, 2020
PubMed
Summary

Ammonia cluster cations exhibit two reaction pathways: proton transfer and complex formation. Proton transfer occurs in all clusters, while complex formation is observed in larger ones, offering insights into astrochemical reactions.

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