Abstract
Nitric acid plays a role in many important chemical processes that happen in our environment, often at surfaces where less is known about its reactive behavior. Recent studies have shown that undissociated nitric acid is present on the surface of a nitric acid solution. Using ab initio molecular dynamics simulations, we show that a nitric acid molecule present on an aqueous solution surface structures and orients in a way that significantly reduces its ability to be the strong dissociating acid that it is in aqueous solution. Hydrogen bonding to surface solvating water molecules plays a key role in this altered molecular behavior.
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