Assessing Many-Body Effects of Water Self-Ions. II: H3O+(H2O)n Clusters.
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DOI: 10.1021/acs.jctc.9b00418
Abstract: The importance of many-body effects in the hydration of the hydronium ion (H3O+) is investigated through a systematic analysis of the many-body expansion of the interaction energy carried out at the coupled cluster level of… read more here.
Keywords: body effects; many body; water; h3o h2o ... See more keywords