J. Soetens

发表

Molecular dynamics simulation of liquid CCl4 with a new polarizable potential model.

G. Jansen, C. Millot, J. Soetens, 1999 .

Theoretical evaluation of metal-functionalized rccc R-pyrogallol[4]arenes as media for molecular hydrogen storage

A. S. Urbina, J. Soetens, Victor Posligua, 2015 .

A generalized self-consistent mean-field theory for fluids of molecules with distributed polarizabilities: Comparisons with computer simulations

J. Soetens, P. Fries, J. Richardi, 2000 .

The quest for ion pairing in supercritical aqueous electrolytes

J. Hazemann, I. Daniel, D. Testemale, 2002 .

STATIC DIELECTRIC CONSTANT OF THE POLARIZABLE NCC WATER MODEL

C. Millot, J. Soetens, M. M. Costa, 1998 .

Dynamics of Methyl Iodide Clathrate Hydrate, Investigated by MD Simulations and QENS Experiments

J. Ollivier, M. Prager, J. Soetens, 2011 .

Static Dielectric Constant of the Polarizable Stockmayer Fluid. Comparison of the Lattice Summation and Reaction Field Methods

C. Millot, J. Soetens, M. M. Costa, 1997 .

MD Studies of Methanol Confined in the Metal-Organic Framework MOF MIL-88B-Cl

R. Schmid, J. Hasegawa, S. Bureekaew, 2022, Journal of Molecular Liquids.

Molecular Dynamics Simulation of Li+BF4- in Ethylene Carbonate, Propylene Carbonate, and Dimethyl Carbonate Solvents

B. Maigret, C. Millot, J. Soetens, 1998 .

Reorientation relaxation in supercritical ammonia

J. Soetens, I. Vyalov, T. Tassaing, 2011 .

Relation between hydrogen bonding and intramolecular motions in liquid and supercritical methanol

J. Andanson, P. Bopp, J. Soetens, 2006 .

Supercritical ammonia: a molecular dynamics simulation and vibrational spectroscopic investigation.

J. Soetens, I. Vyalov, T. Tassaing, 2010, The Journal of chemical physics.

Revised Anisotropic Site Potentials for the Water Dimer and Calculated Properties

Claude Millot, Anthony J. Stone, A. Stone, 1998 .

Hydrogen bonding in supercritical tert-butanol assessed by vibrational spectroscopies and molecular-dynamics simulations.

J. Andanson, J. Soetens, T. Tassaing, 2005, The Journal of chemical physics.

Molecular Dynamics simulations of liquid isoquinoline as a function of temperature

R. Adnan, C. Millot, J. Soetens, 2012 .

Effect of the cation model on the equilibrium structure of poly-L-glutamate in aqueous sodium chloride solution.

D. Jacquemin, P. Bopp, J. Soetens, 2015, The Journal of chemical physics.

The static dielectric constant and molecular geometries in ambient water studied by reverse Monte Carlo simulations

L. Pusztai, P. Bopp, J. Soetens, 2003 .

Molecular Insight into the Swelling of a MOF: A Force-Field Investigation of Methanol Uptake in MIL-88B(Fe)–Cl

R. Schmid, S. Bureekaew, P. Bopp, 2021 .

Combining extended x-ray absorption fine structure with numerical simulations for disordered systems

P. Bopp, J. Soetens, A. San Miguel, 2005 .

Effect of Polarizability on the Potential of Mean Force of Two Cations. The Guanidinium−Guanidinium Ion Pair in Water

C. Chipot, J. Ángyán, G. Jansen, 1997 .

Diffusive Motions of Molecular Hydrogen Confined in THF Clathrate Hydrate

J. Soetens, A. Desmedt, E. Pefoute, 2012 .

Hydrogen Bonding in Supercritical Ethanol Assessed by Infrared and Raman Spectroscopies

J. Andanson, J. Soetens, T. Tassaing, 2004 .

Molecular dynamics simulations of aqueous RbBr-solutions over the entire solubility range at room temperature

L. Pusztai, P. Bopp, J. Soetens, 2006 .

Water-Methanol Mixtures: Simulations of Mixing Properties over the Entire Range of Mole Fractions.

P. Bopp, J. Soetens, 2015, The journal of physical chemistry. B.

Bringing together fundamental and applied science: The supercritical fluids route

J. Andanson, H. Reveron, C. Aymonier, 2006 .

Effect of distributing multipoles and polarizabilities on molecular dynamics simulations of water

C. Millot, J. Soetens, 1995 .

Molecular dynamics simulation of polarizable ice adlayers on MgO(100)

C. Millot, J. Soetens, C. Girardet, 1998 .

Modeling the THF clathrate hydrate dynamics by combining molecular dynamics and quasi-elastic neutron scattering

L. Martin-Gondre, J. Ollivier, J. Soetens, 2017 .

MD simulation of the dynamics of chlorocyclohexane guest molecules in the thiourea inclusion compound

W. Rice, J. Soetens, F. Guillaume, 2003 .

A combined MD-IQNS investigation of rotational disorder of guest molecules in thiourea inclusion compounds

A. Dianoux, J. Soetens, R. Lechner, 2002 .

Molecular dynamics simulation study of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound

K. Harris, J. Soetens, F. Guillaume, 2000 .

Accommodation of ethanol, acetone and benzaldehyde by the liquid vapor interface of water: A molecular dynamics study

F. Bohr, J. Soetens, E. Hénon, 2006 .

Development of a MOF-FF-compatible interaction model for liquid methanol and Cl− in methanol

R. Schmid, S. Bureekaew, P. Bopp, 2019, Journal of Molecular Liquids.

Molecular dynamics simulation and x-ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase

B. Maigret, C. Millot, J. Soetens, 2001 .

Investigation of the local structure in sub and supercritical ammonia using the nearest neighbor approach: a molecular dynamics analysis.

J. Soetens, I. Vyalov, T. Tassaing, 2010, The journal of physical chemistry. B.

Determination of Distributed Polarizabilities from a Statistical Analysis of Induction Energies

C. Chipot, F. Dehez, C. Millot, 2000 .