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Influence of Ethanol Parametrization on Diffusion Coefficients Using OPLS-AA Force Field.
Int J Mol Sci. 2023 Apr 15;24(8):7316. doi: 10.3390/ijms24087316.
Int J Mol Sci. 2023.
PMID: 37108479
Free PMC article.
Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents.
Zêzere B, Portugal I, Gomes JRB, Silva CM.
Zêzere B, et al.
Materials (Basel). 2022 Sep 15;15(18):6416. doi: 10.3390/ma15186416.
Materials (Basel). 2022.
PMID: 36143725
Free PMC article.
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