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Chevrot, G., Schurhammer, R., Wipff, G. (2006) Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: comparison of different solvent models. Physical Chemistry Chemical Physics, 8 (36). 4166pp. doi:10.1039/b608218a

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Reference TypeJournal (article/letter/editorial)
TitleMolecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: comparison of different solvent models
JournalPhysical Chemistry Chemical Physics
AuthorsChevrot, G.Author
Schurhammer, R.Author
Wipff, G.Author
Year2006Volume8
Issue36
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b608218aSearch in ResearchGate
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Mindat Ref. ID4009452Long-form Identifiermindat:1:5:4009452:2
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Full ReferenceChevrot, G., Schurhammer, R., Wipff, G. (2006) Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: comparison of different solvent models. Physical Chemistry Chemical Physics, 8 (36). 4166pp. doi:10.1039/b608218a
Plain TextChevrot, G., Schurhammer, R., Wipff, G. (2006) Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: comparison of different solvent models. Physical Chemistry Chemical Physics, 8 (36). 4166pp. doi:10.1039/b608218a
In(2006) Physical Chemistry Chemical Physics Vol. 8 (36) Royal Society of Chemistry (RSC)

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Chevrot, G., Schurhammer, R., Wipff, G. (2007) Molecular dynamics study of dicarbollide anions in nitrobenzene solution and at its aqueous interface. Synergistic effect in the Eu(iii) assisted extraction. Physical Chemistry Chemical Physics, 9 (44). 5928pp. doi:10.1039/b711284j
Chevrot, G., Schurhammer, R., Wipff, G. (2006) Surfactant Behavior of “Ellipsoidal” Dicarbollide Anions:  A Molecular Dynamics Study. The Journal of Physical Chemistry B, 110 (19). 9488-9498 doi:10.1021/jp060930q
Sieffert, N., Wipff, G. (2006) The [BMI][Tf2N] Ionic Liquid/Water Binary System:  A Molecular Dynamics Study of Phase Separation and of the Liquid−Liquid Interface. The Journal of Physical Chemistry B, 110 (26). 13076-13085 doi:10.1021/jp061849q
Benay, G., Schurhammer, R., Wipff, G. (2010) BTP-based ligands and their complexes with Eu3+ at “oil”/water interfaces. A molecular dynamics study. Physical Chemistry Chemical Physics, 12 (36). 11089pp. doi:10.1039/c000772b
Chaumont, A., Schurhammer, R., Wipff, G. (2005) Aqueous Interfaces with Hydrophobic Room-Temperature Ionic Liquids:  A Molecular Dynamics Study. The Journal of Physical Chemistry B, 109 (40). 18964-18973 doi:10.1021/jp052854h
Chaumont, A., Wipff, G. (2005) Solvation of fluoro and mixed fluoro/chloro complexes of EuIII in the [BMI][PF6] room temperature ionic liquid. A theoretical study. Physical Chemistry Chemical Physics, 7 (9). 1926pp. doi:10.1039/b417598k
Sieffert, Nicolas, Wipff, Georges (2007) Rhodium-Catalyzed Hydroformylation of 1-Hexene in an Ionic Liquid:  A Molecular Dynamics Study of the Hexene/[BMI][PF6] Interface†. The Journal of Physical Chemistry B, 111 (18). 4951-4962 doi:10.1021/jp0677952
Schurhammer, Rachel, Wipff, Georges (2018) Formation of Aqueous Biphasic Systems with an Ionic Liquid Induced by Metallic Salts: Nanoscopic Views from Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 122 (44). 10143-10157 doi:10.1021/acs.jpcb.8b06193
Gaillard, C., Mazan, V., Georg, S., Klimchuk, O., Sypula, M., Billard, I., Schurhammer, R., Wipff, G. (2012) Acid extraction to a hydrophobic ionic liquid: the role of added tributylphosphate investigated by experiments and simulations. Physical Chemistry Chemical Physics, 14 (15). 5187pp. doi:10.1039/c2cp40129k
Schnell, Benoît, Schurhammer, Rachel, Wipff, Georges (2004) Distribution of Hydrophobic Ions and Their Counterions at an Aqueous Liquid−Liquid Interface:  A Molecular Dynamics Investigation. The Journal of Physical Chemistry B, 108 (7). 2285-2294 doi:10.1021/jp036896m
Fedorov, Maxim V., Lynden-Bell, R. M. (2012) Probing the neutral graphene–ionic liquid interface: insights from molecular dynamics simulations. Physical Chemistry Chemical Physics, 14 (8). 2552pp. doi:10.1039/c2cp22730d
 
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