Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State
B. Bursik, J. Eller, and J. Groß. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 128 (15):
3677-3688(2024)
DOI: 10.1021/acs.jpcb.3c07447
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%0 Journal Article
%1 bursik2024predicting
%A Bursik, Benjamin
%A Eller, Johannes
%A Groß, Joachim
%D 2024
%I American Chemical Society
%J The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry
%K
%N 15
%P 3677-3688
%R 10.1021/acs.jpcb.3c07447
%T Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State
%V 128
@article{bursik2024predicting,
added-at = {2024-10-30T09:29:56.000+0100},
affiliation = {Gross, J (Corresponding Author), Univ Stuttgart, Inst Thermodynam \& Thermal Proc Engn, D-70569 Stuttgart, Germany.
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, Univ Stuttgart, Inst Thermodynam \& Thermal Proc Engn, D-70569 Stuttgart, Germany.},
author = {Bursik, Benjamin and Eller, Johannes and Groß, Joachim},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/21c245390afd0496b8234bbd3f737c714/unibiblio},
doi = {10.1021/acs.jpcb.3c07447},
interhash = {4092f2d001a0e09b4f6f44204c6914a5},
intrahash = {1c245390afd0496b8234bbd3f737c714},
issn = {{1520-6106} and {1520-5207}},
journal = {The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry},
keywords = {},
language = {eng},
number = 15,
orcid-numbers = {Bursik, Benjamin/0000-0003-2337-7014
Eller, Johannes/0000-0002-3244-8999
Gross, Joachim/0000-0001-8632-357X},
pages = {3677-3688},
publisher = {American Chemical Society},
research-areas = {Chemistry},
researcherid-numbers = {Gross, Joachim/B-9633-2017},
timestamp = {2024-10-30T08:29:56.000+0100},
title = {Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State},
unique-id = {WOS:001200594700001},
volume = 128,
year = 2024
}