| Ab initio molecular dynamics of liquid 1, 3-dimethylimidazolium chloride M Bühl, A Chaumont, R Schurhammer, G Wipff The Journal of Physical Chemistry B 109 (39), 18591-18599, 2005 | 239 | 2005 |
| Aqueous interfaces with hydrophobic room-temperature ionic liquids: a molecular dynamics study A Chaumont, R Schurhammer, G Wipff The Journal of Physical Chemistry B 109 (40), 18964-18973, 2005 | 159 | 2005 |
| Molecular dynamics study of the uranyl extraction by tri-n-butylphosphate (TBP): Demixing of water/“oil”/TBP solutions with a comparison of supercritical CO2 and chloroform M Baaden, R Schurhammer, G Wipff The Journal of Physical Chemistry B 106 (2), 434-441, 2002 | 104 | 2002 |
| Peroxovanadate Imidazole Complexes as Catalysts for Olefin Epoxidation: Density Functional Study of Dynamics, 51V NMR Chemical Shifts, and Mechanism M Bühl, R Schurhammer, P Imhof Journal of the American Chemical Society 126 (10), 3310-3320, 2004 | 94 | 2004 |
| Molecular dynamics simulations of the aqueous interface with the [BMI][PF 6] ionic liquid: comparison of different solvent models G Chevrot, R Schurhammer, G Wipff Physical Chemistry Chemical Physics 8 (36), 4166-4174, 2006 | 88 | 2006 |
| Surfactant behavior of “ellipsoidal” dicarbollide anions: a molecular dynamics study G Chevrot, R Schurhammer, G Wipff The Journal of Physical Chemistry B 110 (19), 9488-9498, 2006 | 71 | 2006 |
| Enzymatic degradation of graphene quantum dots by human peroxidases C Martín, G Jun, R Schurhammer, G Reina, P Chen, A Bianco, ... Small 15 (52), 1905405, 2019 | 63 | 2019 |
| Distribution of hydrophobic ions and their counterions at an aqueous liquid− liquid interface: A molecular dynamics investigation B Schnell, R Schurhammer, G Wipff The Journal of Physical Chemistry B 108 (7), 2285-2294, 2004 | 62 | 2004 |
| Photophysical and structural impact of phosphorylated anions associated to lanthanide complexes in water LJ Charbonnière, R Schurhammer, S Mameri, G Wipff, RF Ziessel Inorganic chemistry 44 (20), 7151-7160, 2005 | 61 | 2005 |
| Are the Hydrophobic AsPh4+ and BPh4- Ions Equally Solvated? A Theoretical Investigation in Aqueous and Nonaqueous Solutions Using Different Charge … R Schurhammer, G Wipff The Journal of Physical Chemistry A 104 (47), 11159-11168, 2000 | 50 | 2000 |
| Basicity, complexation ability and interfacial behavior of BTBPs: a simulation study G Benay, R Schurhammer, G Wipff Physical Chemistry Chemical Physics 13 (7), 2922-2934, 2011 | 48 | 2011 |
| Acid extraction to a hydrophobic ionic liquid: the role of added tributylphosphate investigated by experiments and simulations C Gaillard, V Mazan, S Georg, O Klimchuk, M Sypula, I Billard, ... Physical Chemistry Chemical Physics 14 (15), 5187-5199, 2012 | 47 | 2012 |
| Substituent effects on BTP's basicity and complexation properties with Ln III lanthanide ions G Benay, R Schurhammer, J Desaphy, G Wipff New Journal of Chemistry 35 (1), 184-189, 2011 | 45 | 2011 |
| Hydronium ion complex of 18-crown-6: theory confirms three “normal” linear hydrogen bonds M Bühl, R Ludwig, R Schurhammer, G Wipff The Journal of Physical Chemistry A 108 (51), 11463-11468, 2004 | 45 | 2004 |
| Importance of interfacial phenomena in assisted ion extraction by supercritical CO 2: a molecular dynamics investigation R Schurhammer, F Berny, G Wipff Physical Chemistry Chemical Physics 3 (5), 647-656, 2001 | 44 | 2001 |
| BTP-based ligands and their complexes with Eu3+ at “oil”/water interfaces. A molecular dynamics study G Benay, R Schurhammer, G Wipff Physical Chemistry Chemical Physics 12 (36), 11089-11102, 2010 | 42 | 2010 |
| Solvation of uranium hexachloro complexes in room-temperature ionic liquids. A molecular dynamics investigation in two liquids R Schurhammer, G Wipff The Journal of Physical Chemistry B 111 (18), 4659-4668, 2007 | 41 | 2007 |
| Hydrophobic Ions in TIP5P Water and at a Water− Chloroform Interface: The Effect of Sign Inversion Investigated by MD and FEP Simulations R Schurhammer, E Engler, G Wipff The Journal of Physical Chemistry B 105 (43), 10700-10708, 2001 | 41 | 2001 |
| About the TATB assumption: effect of charge reversal on transfer of large spherical ions from aqueous to non-aqueous solvents and on their interfacial behaviour R Schurhammer, G Wipff Journal of Molecular Structure: THEOCHEM 500 (1-3), 139-155, 2000 | 40 | 2000 |
| Effect of the TBP and Water on the Complexation of Uranyl Nitrate and the Dissolution of Nitric Acid into Supercritical CO2. A Theoretical Study R Schurhammer, G Wipff The Journal of Physical Chemistry A 109 (23), 5208-5216, 2005 | 39 | 2005 |
