Simonin JP - Search Results

1

Experimental and molecular dynamics studies of dysprosium(III) salt solutions for a better representation of the microscopic features used within the binding mean spherical approximation theory.

Ruas A, Guilbaud P, Den Auwer C, Moulin C, Simonin JP, Turq P, Moisy P. Ruas A, et al. Among authors: simonin jp. J Phys Chem A. 2006 Oct 19;110(41):11770-9. doi: 10.1021/jp0609636. J Phys Chem A. 2006. PMID: 17034172

2

Uranyl(VI) nitrate salts: modeling thermodynamic properties using the binding mean spherical approximation theory and determination of "fictive" binary data.

Ruas A, Bernard O, Caniffi B, Simonin JP, Turq P, Blum L, Moisy P. Ruas A, et al. Among authors: simonin jp. J Phys Chem B. 2006 Feb 23;110(7):3435-43. doi: 10.1021/jp056733t. J Phys Chem B. 2006. PMID: 16494358

3

Experimental determination of water activity for binary aqueous cerium(III) ionic solutions: application to an assessment of the predictive capability of the binding mean spherical approximation model.

Ruas A, Simonin JP, Turq P, Moisy P. Ruas A, et al. Among authors: simonin jp. J Phys Chem B. 2005 Dec 8;109(48):23043-50. doi: 10.1021/jp055006v. J Phys Chem B. 2005. PMID: 16854002

4

Lanthanide salts solutions: representation of osmotic coefficients within the binding mean spherical approximation.

Ruas A, Moisy P, Simonin JP, Bernard O, Dufrêche JF, Turq P. Ruas A, et al. Among authors: simonin jp. J Phys Chem B. 2005 Mar 24;109(11):5243-8. doi: 10.1021/jp0450991. J Phys Chem B. 2005. PMID: 16863190

5

Nitric acid: modeling osmotic coefficients and acid-base dissociation using the BIMSA theory.

Ruas A, Pochon P, Simonin JP, Moisy P. Ruas A, et al. Among authors: simonin jp. Dalton Trans. 2010 Nov 14;39(42):10148-53. doi: 10.1039/c0dt00343c. Epub 2010 Oct 12. Dalton Trans. 2010. PMID: 20941405

6

Ionic association of hydroperoxide anion HO2- in the binding mean spherical approximation. Spectroscopic study of hydrogen peroxide in concentrated sodium hydroxide solutions.

Chlistunoff J, Simonin JP. Chlistunoff J, et al. Among authors: simonin jp. J Phys Chem A. 2006 Dec 28;110(51):13868-76. doi: 10.1021/jp065852l. J Phys Chem A. 2006. PMID: 17181346

7

Full solution to the mean spherical approximation (MSA) for an arbitrary mixture of ions in a dipolar solvent.

Simonin JP, Høye JS. Simonin JP, et al. J Chem Phys. 2021 Sep 21;155(11):114502. doi: 10.1063/5.0064188. J Chem Phys. 2021. PMID: 34551545

8

On the "Born" term used in thermodynamic models for electrolytes.

Simonin JP. Simonin JP. J Chem Phys. 2019 Jun 28;150(24):244503. doi: 10.1063/1.5096598. J Chem Phys. 2019. PMID: 31255078

9

Effect of polarization on the solubility of gases in molten salts.

Simonin JP. Simonin JP. J Chem Phys. 2011 Feb 7;134(5):054508. doi: 10.1063/1.3544374. J Chem Phys. 2011. PMID: 21303139

10

New route to amide-functionalized N-donor ligands enables improved selective solvent extraction of trivalent actinides.

Bulmer R, Spencer TB, Wilden A, Modolo G, Vu TH, Simonin JP, Lewis FW. Bulmer R, et al. Among authors: simonin jp. Chem Commun (Camb). 2022 Sep 22;58(76):10667-10670. doi: 10.1039/d2cc03876e. Chem Commun (Camb). 2022. PMID: 36063119

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