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JC Soetens
JC Soetens
Verified email at u-bordeaux.fr
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Year
Molecular Dynamics Simulation of Li+BF4- in Ethylene Carbonate, Propylene Carbonate, and Dimethyl Carbonate Solvents
JC Soetens, C Millot, B Maigret
The Journal of Physical Chemistry A 102 (7), 1055-1061, 1998
2171998
Revised anisotropic site potentials for the water dimer and calculated properties
C Millot, JC Soetens, MTC Martins Costa, MP Hodges, AJ Stone
The Journal of Physical Chemistry A 102 (4), 754-770, 1998
2161998
Hydrogen bonding in supercritical ethanol assessed by infrared and Raman spectroscopies
P Lalanne, JM Andanson, JC Soetens, T Tassaing, Y Danten, M Besnard
The Journal of Physical Chemistry A 108 (18), 3902-3909, 2004
872004
Effect of Polarizability on the Potential of Mean Force of Two Cations. The Guanidinium− Guanidinium Ion Pair in Water
JC Soetens, C Millot, C Chipot, G Jansen, JG Ángyán, B Maigret
The Journal of Physical Chemistry B 101 (50), 10910-10917, 1997
861997
Molecular dynamics simulation and X—ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase
JC Soetens, C Millot, B Maigret, I Bakó
Journal of Molecular Liquids 92 (3), 201-216, 2001
852001
Hydration of the bromine ion in a supercritical 1: 1 aqueous electrolyte
G Ferlat, A San Miguel, JF Jal, JC Soetens, PA Bopp, I Daniel, S Guillot, ...
Physical Review B 63 (13), 134202, 2001
692001
Hydrogen bonding in supercritical tert-butanol assessed by vibrational spectroscopies and molecular-dynamics simulations
JM Andanson, JC Soetens, T Tassaing, M Besnard
The Journal of chemical physics 122 (17), 2005
562005
Combining extended x-ray absorption fine structure with numerical simulations for disordered systems
G Ferlat, JC Soetens, A San Miguel, PA Bopp
Journal of Physics: Condensed Matter 17 (5), S145, 2005
522005
Water–methanol mixtures: simulations of mixing properties over the entire range of mole fractions
JC Soetens, PA Bopp
The Journal of Physical Chemistry B 119 (27), 8593-8599, 2015
472015
Effect of distributing multipoles and polarizabilities on molecular dynamics simulations of water
JC Soetens, C Millot
Chemical physics letters 235 (1-2), 22-30, 1995
461995
Bringing together fundamental and applied science: The supercritical fluids route
M Besnard, T Tassaing, Y Danten, JM Andanson, JC Soetens, F Cansell, ...
Journal of molecular liquids 125 (2-3), 88-99, 2006
442006
Molecular dynamics simulation of liquid CCl4 with a new polarizable potential model
JC Soetens, G Jansen, C Millot
Molecular Physics 96 (7), 1003-1012, 1999
411999
Relation between hydrogen bonding and intramolecular motions in liquid and supercritical methanol
JM Andanson, PA Bopp, JC Soetens
Journal of molecular liquids 129 (1-2), 101-107, 2006
382006
The quest for ion pairing in supercritical aqueous electrolytes
G Ferlat, A San Miguel, JF Jal, JC Soetens, PA Bopp, JL Hazemann, ...
Journal of molecular liquids 101 (1-3), 127-136, 2002
382002
Determination of distributed polarizabilities from a statistical analysis of induction energies
F Dehez, JC Soetens, C Chipot, JG Angyan, C Millot
The Journal of Physical Chemistry A 104 (6), 1293-1303, 2000
312000
Determination of distributed polarizabilities from a statistical analysis of induction energies
F Dehez, JC Soetens, C Chipot, JG Angyan, C Millot
The Journal of Physical Chemistry A 104 (6), 1293-1303, 2000
312000
Diffusive motions of molecular hydrogen confined in THF clathrate hydrate
E Pefoute, E Kemner, JC Soetens, M Russina, A Desmedt
The Journal of Physical Chemistry C 116 (32), 16823-16829, 2012
252012
Supercritical ammonia: A molecular dynamics simulation and vibrational spectroscopic investigation
T Tassaing, JC Soetens, I Vyalov, M Kiselev, A Idrissi
The Journal of chemical physics 133 (21), 2010
232010
Investigation of the local structure in sub and supercritical ammonia using the nearest neighbor approach: a molecular dynamics analysis
I Vyalov, M Kiselev, T Tassaing, JC Soetens, A Idrissi
The Journal of Physical Chemistry B 114 (46), 15003-15010, 2010
212010
Static dielectric constant of the polarizable stockmayer fluid. Comparison of the lattice summation and reaction field methods
C Millot, JC Soetens, MTC Martins Costa
Molecular Simulation 18 (6), 367-383, 1997
201997
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