Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations
- Author(s)
- Maria Darvas, Miguel Jorge, M. Natalia D. S. Cordeiro, Sofia S. Kantorovich, Marcello Sega, Pal Jedlovszky
- Organisation(s)
- Computational and Soft Matter Physics, Department of Computational Biological Chemistry
- External organisation(s)
- Scuola Internazionale Superiore di Studi Avanzati, University of Strathclyde, Universidade do Porto, Eötvös Loránd University Budapest, Budapest University of Technology and Economics, Eszterházy Károly University of Applied Sciences
- Journal
- The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
- Volume
- 117
- Pages
- 16148-16156
- No. of pages
- 9
- ISSN
- 1520-6106
- DOI
- https://doi.org/10.1021/jp404699t
- Publication date
- 12-2013
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104004 Chemical biology, 103023 Polymer physics, 103029 Statistical physics
- Keywords
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/d2e584f6-5971-4916-a2e3-87e1eaba7c42