Torsional Tunneling Splitting in a Water Trimer.
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DOI: 10.1021/jacs.2c09909
Abstract: Using a full-dimensional quantum method for nuclei and a new first-principles water potential, we show that the torsional tunneling splitting in a water trimer can be reproduced with accuracy up to ∼1 cm-1. We quantify… read more here.
Keywords: splitting water; torsional tunneling; water trimer; water ... See more keywords