Franz Waibl, Johannes Kraml, Monica L. Fernández-Quintero, Johannes R. Loeffler, Klaus R. Liedl. Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt-water mixtures. Journal of Computer-Aided Molecular Design, 36(2):101-116, 2022. [doi]
@article{WaiblKFLL22,
title = {Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt-water mixtures},
author = {Franz Waibl and Johannes Kraml and Monica L. Fernández-Quintero and Johannes R. Loeffler and Klaus R. Liedl},
year = {2022},
doi = {10.1007/s10822-021-00429-y},
url = {https://doi.org/10.1007/s10822-021-00429-y},
researchr = {https://researchr.org/publication/WaiblKFLL22},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {36},
number = {2},
pages = {101-116},
}