Houriez C - Search Results

1

Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics.

Nguyen TV, Houriez C, Rousseau B. Nguyen TV, et al. Among authors: houriez c. Phys Chem Chem Phys. 2010 Jan 28;12(4):930-6. doi: 10.1039/b918191a. Epub 2009 Dec 10. Phys Chem Chem Phys. 2010. PMID: 20066378

2

Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts.

Houriez C, Vallet V, Réal F, Meot-Ner Mautner M, Masella M. Houriez C, et al. J Chem Phys. 2017 Oct 28;147(16):161720. doi: 10.1063/1.4997996. J Chem Phys. 2017. PMID: 29096445

3

Prediction of nitroxide hyperfine coupling constants in solution from combined nanosecond scale simulations and quantum computations.

Houriez C, Ferré N, Masella M, Siri D. Houriez C, et al. J Chem Phys. 2008 Jun 28;128(24):244504. doi: 10.1063/1.2939121. J Chem Phys. 2008. PMID: 18601346

4

Further insights into the environmental effects on the computed hyperfine coupling constants of nitroxides in aqueous solution.

Houriez C, Ferré N, Siri D, Masella M. Houriez C, et al. J Phys Chem B. 2009 Nov 12;113(45):15047-56. doi: 10.1021/jp906828v. J Phys Chem B. 2009. PMID: 19845322

5

Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water.

Houriez C, Masella M, Ferré N. Houriez C, et al. J Chem Phys. 2010 Sep 28;133(12):124508. doi: 10.1063/1.3478999. J Chem Phys. 2010. PMID: 20886951

6

Structure and spectromagnetic properties of the superoxide radical adduct of DMPO in water: elucidation by theoretical investigations.

Houriez C, Ferré N, Siri D, Tordo P, Masella M. Houriez C, et al. J Phys Chem B. 2010 Sep 16;114(36):11793-803. doi: 10.1021/jp1033307. J Phys Chem B. 2010. PMID: 20722404

7

Physisorbed H2@Cu(100) surface: potential and spectroscopy.

Bernard E, Houriez C, Mitrushchenkov AO, Guitou M, Chambaud G. Bernard E, et al. Among authors: houriez c. J Chem Phys. 2015 Feb 7;142(5):054703. doi: 10.1063/1.4907013. J Chem Phys. 2015. PMID: 25662656

8

Electronic basis of the comparable hydrogen bond properties of small H2CO/(H2O)n and H2NO/(H2O)n systems (n = 1, 2).

Houriez C, Ferré N, Flament JP, Masella M, Siri D. Houriez C, et al. J Phys Chem A. 2007 Nov 15;111(45):11673-82. doi: 10.1021/jp075136z. Epub 2007 Oct 18. J Phys Chem A. 2007. PMID: 17944448

9

Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution.

Houriez C, Réal F, Vallet V, Mautner M, Masella M. Houriez C, et al. J Chem Phys. 2019 Nov 7;151(17):174504. doi: 10.1063/1.5109777. J Chem Phys. 2019. PMID: 31703526

10

Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field.

Houriez C, Meot-Ner Mautner M, Masella M. Houriez C, et al. J Phys Chem B. 2017 Dec 21;121(50):11219-11228. doi: 10.1021/acs.jpcb.7b07874. Epub 2017 Dec 11. J Phys Chem B. 2017. PMID: 29182348

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