Open AccessAccurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional
Author(s) -
Daniel Borgis,
Sohvi Luukkonen,
Luc Belloni,
Guillaume Jeanmairet
Publication year - 2021
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 - 10.1063/5.0057506
Subject(s) - solvation , density functional theory , chemistry , molecular dynamics , chemical physics , surface tension , molecule , computational chemistry , force field (fiction) , range (aeronautics) , thermodynamics , materials science , physics , organic chemistry , quantum mechanics , composite material
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