Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, USA
Funder
Division of Chemistry
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5023916
Reference137 articles.
1. Ions at the Air/Water Interface
2. ON THE NATURE OF IONS AT THE LIQUID WATER SURFACE
3. Specific Ion Effects at the Air/Water Interface
4. Spiers Memorial Lecture : Ions at aqueous interfaces
5. Ions at Aqueous Interfaces: From Water Surface to Hydrated Proteins
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