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Published in 2018 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2017.11.015
Abstract: Abstract Hydronium (H3O+) is the smallest member of protonated water. In this work, we use quantum chemical calculations to explore the solvation of H3O+ by adding one CO2 molecule at a time. The effect of…
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Keywords:
carbon dioxide;
solvation hydronium;
h3o;
solvation ... See more keywords