Duvail M - Search Results

1

Molecular dynamics studies of concentrated binary aqueous solutions of lanthanide salts: structures and exchange dynamics.

Duvail M, Ruas A, Venault L, Moisy P, Guilbaud P. Duvail M, et al. Inorg Chem. 2010 Jan 18;49(2):519-30. doi: 10.1021/ic9017085. Inorg Chem. 2010. PMID: 20025265

2

Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations.

Duvail M, Guilbaud P. Duvail M, et al. Phys Chem Chem Phys. 2011 Apr 7;13(13):5840-7. doi: 10.1039/c0cp02535f. Epub 2011 Feb 15. Phys Chem Chem Phys. 2011. PMID: 21321721

3

Atomistic description of binary lanthanoid salt solutions: a coarse-graining approach.

Molina JJ, Duvail M, Dufrêche JF, Guilbaud P. Molina JJ, et al. Among authors: duvail m. J Phys Chem B. 2011 Apr 21;115(15):4329-40. doi: 10.1021/jp1110168. Epub 2011 Mar 28. J Phys Chem B. 2011. PMID: 21443228

4

Complexation of lanthanides(III), americium(III), and uranium(VI) with bitopic N,O ligands: an experimental and theoretical study.

Marie C, Miguirditchian M, Guillaumont D, Tosseng A, Berthon C, Guilbaud P, Duvail M, Bisson J, Guillaneux D, Pipelier M, Dubreuil D. Marie C, et al. Among authors: duvail m. Inorg Chem. 2011 Jul 18;50(14):6557-66. doi: 10.1021/ic200271e. Epub 2011 Jun 10. Inorg Chem. 2011. PMID: 21657800

5

Multi-scale modelling of uranyl chloride solutions.

Nguyen TN, Duvail M, Villard A, Molina JJ, Guilbaud P, Dufrêche JF. Nguyen TN, et al. Among authors: duvail m. J Chem Phys. 2015 Jan 14;142(2):024501. doi: 10.1063/1.4905008. J Chem Phys. 2015. PMID: 25591366

6

Thermodynamics of Associated Electrolytes in Water: Molecular Dynamics Simulations of Sulfate Solutions.

Duvail M, Villard A, Nguyen TN, Dufrêche JF. Duvail M, et al. J Phys Chem B. 2015 Aug 27;119(34):11184-95. doi: 10.1021/acs.jpcb.5b03088. Epub 2015 May 22. J Phys Chem B. 2015. PMID: 25965186

7

Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach.

Chen Y, Duvail M, Guilbaud P, Dufrêche JF. Chen Y, et al. Among authors: duvail m. Phys Chem Chem Phys. 2017 Mar 8;19(10):7094-7100. doi: 10.1039/c6cp07843e. Phys Chem Chem Phys. 2017. PMID: 28225102

8

The role of curvature effects in liquid-liquid extraction: assessing organic phase mesoscopic properties from MD simulations.

Duvail M, van Damme S, Guilbaud P, Chen Y, Zemb T, Dufrêche JF. Duvail M, et al. Soft Matter. 2017 Aug 23;13(33):5518-5526. doi: 10.1039/c7sm00733g. Soft Matter. 2017. PMID: 28759080

9

Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions.

Bley M, Duvail M, Guilbaud P, Dufrêche JF. Bley M, et al. Among authors: duvail m. J Phys Chem B. 2017 Oct 19;121(41):9647-9658. doi: 10.1021/acs.jpcb.7b04011. Epub 2017 Oct 10. J Phys Chem B. 2017. PMID: 28926709

10

Activity Coefficients of Aqueous Sodium, Calcium, and Europium Nitrate Solutions from Osmotic Equilibrium MD Simulations.

Bley M, Duvail M, Guilbaud P, Dufrêche JF. Bley M, et al. Among authors: duvail m. J Phys Chem B. 2018 Aug 9;122(31):7726-7736. doi: 10.1021/acs.jpcb.8b04950. Epub 2018 Jul 26. J Phys Chem B. 2018. PMID: 30008221

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