Molecular simulations of liquid aliphatic carboxylic acids (C1-C6) using the 3D-RISM-KH molecular solvation theory

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DOIResolve DOI: https://doi.org/10.1016/j.molliq.2022.120825
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Affiliation
  1. National Research Council of Canada. Nanotechnology
FunderSearch for: Consortium canadien en neurodégénérescence associée au vieillissement; Search for: Natural Sciences and Engineering Research Council of Canada
FormatText, Article
Subjectaliphatic carboxylic acids; aqueous mixture; molecular solvation theory; three-dimensional reference interaction; site model; molecular dynamics; density functional theory
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PublisherElsevier
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LanguageEnglish
Peer reviewedYes
IdentifierS0167732222023649
NRC numberNRC-NANO-216
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Record identifieracf38e77-2017-4961-b75e-9fdd2440d295
Record created2023-02-07
Record modified2023-02-10
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