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Page 1
Understanding the Structure and Properties of Cholinium Amino Acid Based Ionic Liquids.
J Phys Chem B. 2016 Oct 6;120(39):10327-10335. doi: 10.1021/acs.jpcb.6b06969. Epub 2016 Sep 28.
J Phys Chem B. 2016.
PMID: 27618305
The role of errors related to DFT methods in calculations involving ion pairs of ionic liquids.
Lage-Estebanez I, Del Olmo L, López R, García de la Vega JM.
Lage-Estebanez I, et al.
J Comput Chem. 2017 Mar 30;38(8):530-540. doi: 10.1002/jcc.24707.
J Comput Chem. 2017.
PMID: 28133839
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Self-interaction error in DFT-based modelling of ionic liquids.
Lage-Estebanez I, Ruzanov A, García de la Vega JM, Fedorov MV, Ivaništšev VB.
Lage-Estebanez I, et al.
Phys Chem Chem Phys. 2016 Jan 21;18(3):2175-82. doi: 10.1039/c5cp05922d. Epub 2015 Dec 22.
Phys Chem Chem Phys. 2016.
PMID: 26690957
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Alkyl substituent effect on density, viscosity and chemical behavior of 1-alkyl-3-methylimidazolium chloride.
Olmo Ld, Lage-Estebanez I, López R, García de la Vega JM.
Olmo Ld, et al. Among authors: lage estebanez i.
J Mol Model. 2014 Sep;20(9):2392. doi: 10.1007/s00894-014-2392-4. Epub 2014 Aug 23.
J Mol Model. 2014.
PMID: 25149437
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