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Thermodynamic Analysis of n-Hexane-Ethanol Binary Mixtures Using the Kirkwood-Buff Theory.
J Phys Chem B. 2019 Jan 10;123(1):247-257. doi: 10.1021/acs.jpcb.8b10425. Epub 2018 Dec 19.
J Phys Chem B. 2019.
PMID: 30516991
Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS.
Petris PC, Becherer P, Fraaije JGEM.
Petris PC, et al.
J Chem Inf Model. 2021 Jul 26;61(7):3453-3462. doi: 10.1021/acs.jcim.0c01478. Epub 2021 Jun 24.
J Chem Inf Model. 2021.
PMID: 34165298
Free PMC article.
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Promising Route for the Development of a Computational Framework for Self-Assembly and Phase Behavior Prediction of Ionic Surfactants Using MARTINI.
Anogiannakis SD, Petris PC, Theodorou DN.
Anogiannakis SD, et al. Among authors: petris pc.
J Phys Chem B. 2020 Jan 23;124(3):556-567. doi: 10.1021/acs.jpcb.9b09915. Epub 2020 Jan 10.
J Phys Chem B. 2020.
PMID: 31888338
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