Open AccessHydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation
Author(s) -
Sohvi Luukkonen,
Maximilien Levesque,
Luc Belloni,
Daniel Borgis
Publication year - 2020
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 - 10.1063/1.5142651
Subject(s) - solvation , chemistry , density functional theory , electrostatics , force field (fiction) , implicit solvation , molecule , molecular dynamics , thermodynamics , chemical physics , integral equation , computational chemistry , water model , field (mathematics) , statistical physics , physics , quantum mechanics , organic chemistry , mathematical analysis , mathematics , pure mathematics
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