Grid inhomogeneous solvation theory for cross-solvation in rigid solvents
Author(s) -
Franz Waibl,
Johannes Kraml,
Valentin J. Hoerschinger,
Florian Hofer,
Anna S. Kamenik,
Monica L. FernándezQuintero,
Klaus R. Liedl
Publication year - 2022
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0087549
Subject(s) - solvation , molecule , enthalpy , thermodynamics , gist , entropy (arrow of time) , statistical physics , solvent , chemistry , scaling , thermodynamic integration , computational chemistry , chemical physics , materials science , molecular dynamics , physics , mathematics , organic chemistry , medicine , geometry , stromal cell , pathology
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