A Multiscale Procedure for Predicting the Hydration Free Energies of Polycyclic Aromatic Hydrocarbons
Author:
Affiliation:
1. Department of Chemical Engineering, Tsinghua University, Beijing 100084, P. R. China
2. Department of Chemical and Environmental Engineering and Department of Mathematics, University of California, Riverside, California 92521, United States
Funder
National Natural Science Foundation of China
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jced.0c00061
Reference29 articles.
1. Infrared spectroscopy of hydrated polycyclic aromatic hydrocarbon cations: naphthalene+–water
2. Adsorption of polycyclic aromatic hydrocarbons at the air–water interface: Molecular dynamics simulations and experimental atmospheric observations
3. Photolysis of Polycyclic Aromatic Hydrocarbons on Water and Ice Surfaces
4. Adsorption of Aromatic Hydrocarbons and Ozone at Environmental Aqueous Surfaces
5. Computational Investigation of the Influence of Surfactants on the Air−Water Interfacial Behavior of Polycylic Aromatic Hydrocarbons
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