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1

Temperature dependence of hydrated La3+ properties in liquid water, a molecular dynamics simulations study

Magali Duvail, Riccardo Spezia, Thierry Cartailler, Pierre Vitorge

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 271 KB

english, 2007

2

Pair interaction potentials with explicit polarization for molecular dynamics simulations of La[sup 3+] in bulk water

Duvail, Magali, Souaille, Marc, Spezia, Riccardo, Cartailler, Thierry, Vitorge, Pierre

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 716 KB

english, 2007

3

Physicochemical Properties of Lanthanide and Yttrium Solutions in Fused Salts and Alloy Formation with Nickel

Lantelme, Frédéric, Cartailler, Thierry, Berghoute, Youssef, Hamdani, Mohamed

Journal:

Journal of The Electrochemical Society

Year:

2001

Language:

english

File:

PDF, 326 KB

english, 2001

4

Non-ideality effect for self-diffusion coefficient of lead cryptate by normal pulse polarography

Albert Lehmani, Thierry Cartailler, Sophie Rossy-Delluc, Pierre Turq

Journal:

Journal of Electroanalytical Chemistry

Year:

1996

Language:

english

File:

PDF, 426 KB

english, 1996

5

Transport of cryptates as model brownons: electrical mobilities and self-diffusion coefficients of monovalent and divalent ions cryptated by 222 in aqueous solutions

Rossy-Delluc, Sophie, Cartailler, Thierry, Turq, Pierre, Bernard, Olivier, Morel-Desrosiers, Nicole, Morel, Jean-Pierre, Kunz, Werner

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1017 KB

english, 1993

6

Cryptates as model Brownons

Cartailler, Thierry, Calmettes, Patrick, Kunz, Werner, Turq, Pierre, Rossy-Delluc, Sophie

Journal:

Molecular Physics

Year:

1993

Language:

english

File:

PDF, 585 KB

english, 1993

7

Structures and fragmentations of Cobalt(II)–cysteine complexes in the gas phase

William Buchmann, Riccardo Spezia, Guewen Tournois, Thierry Cartailler, Jeanine Tortajada

Journal:

Journal of Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 333 KB

english, 2007

8

Solubility of KF in water by molecular dynamics using the Kirkwood integration method

Ferrario, Mauro, Ciccotti, Giovanni, Spohr, Eckhard, Cartailler, Thierry, Turq, Pierre

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 380 KB

english, 2002

9

Thermodynamics of ion association in the mean spherical approximation

Cartailler, Thierry, Turq, Pierre, Blum, Lesser, Condamine, Nicole

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 658 KB

english, 1992

10

A Microscopic Description of Concentrated Potassium Fluoride Aqueous Solutions by Molecular Dynamics Simulation

Laudernet, Yann, Cartailler, Thierry, Turq, Pierre, Ferrario, Mauro

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 112 KB

english, 2003

11

Cryptates as model brownons

Rossy-Delluc, Sophie, Cartailler, Thierry, Tivant, Patricia, Turq, Pierre, Morel-Desrosiers, Nicole

Journal:

Molecular Physics

Year:

1994

Language:

english

File:

PDF, 758 KB

english, 1994

12

Selected transport properties of 2HF–KF using molecular dynamics

Simon, Christian, Cartailler, Thierry, Turq, Pierre

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 142 KB

english, 2001

13

Toward a DFT-based molecular dynamics description of Co(ii) binding in sulfur-rich peptides

Spezia, Riccardo, Tournois, Guewen, Tortajada, Jeanine, Cartailler, Thierry, Gaigeot, Marie-Pierre

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 704 KB

english, 2006

14

Comment on ‘‘Integral equation theory for charged liquids: The structure of macroions in solution and the inversion of experimental data’’ [J. Chem. Phys. 100, 2244 (1994)]

Kunz, Werner, Calmettes, Patrick, Cartailler, Thierry, Turq, Pierre

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 477 KB

english, 1995

15

A Coupled Car-Parrinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co 2+

Spezia, Riccardo, Duvail, Magali, Vitorge, Pierre, Cartailler, Thierry, Tortajada, Jeanine, Chillemi, Giovanni, D‘Angelo, Paola, Gaigeot, Marie-Pierre

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 239 KB

english, 2006

16

Small hydrophobic organic ions in aqueous solutions

Kunz, Werner, Calmettes, Patrick, Cartailler, Thierry, Turq, Pierre

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 635 KB

english, 1993

17

Structure and speciation of liquid 2HF/KF: A molecular dynamics study

Simon, Christian, Cartailler, Thierry, Turq, Pierre

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 460 KB

english, 2002

18

Co 2+ Binding Cysteine and Selenocysteine: A DFT Study

Spezia, Riccardo, Tournois, Guewen, Cartailler, Thierry, Tortajada, Jeanine, Jeanvoine, Yannick

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 320 KB

english, 2006

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