Deprotonation of formic acid in collisions with a liquid water surface studied by molecular dynamics and metadynamics simulations
Author:
Affiliation:
1. Laboratory of Physical Chemistry
2. Department of Chemistry
3. FI-00014 University of Helsinki
4. Finland
5. University of Wisconsin-Madison
6. Madison
7. USA
8. Institute of Chemistry and the Fritz Haber Research Center
Abstract
Formic acid has a lower barrier to deprotonation at the air–water interface than in bulk liquid water.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP06071D
Reference88 articles.
1. Investigation of Interfacial and Bulk Dissociation of HBr, HCl, and HNO3 Using Density Functional Theory-Based Molecular Dynamics Simulations
2. Nonlinear Vibrational Spectroscopic Studies of the Adsorption and Speciation of Nitric Acid at the Vapor/Acid Solution Interface
3. Does Nitric Acid Dissociate at the Aqueous Solution Surface?
4. Dissociation of Strong Acid Revisited: X-ray Photoelectron Spectroscopy and Molecular Dynamics Simulations of HNO3 in Water
5. At the Water's Edge: Nitric Acid as a Weak Acid
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