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Results: 1-11 |
Results: 11
Hydrophobic ions in TIP5P water and at a water- chloroform interface: The effect of sign inversion investigated by MD and FEP simulations
Authors: Schurhammer, R Engler, E Wipff, G
Citation: R. Schurhammer et al., Hydrophobic ions in TIP5P water and at a water- chloroform interface: The effect of sign inversion investigated by MD and FEP simulations, J PHYS CH B, 105(43), 2001, pp. 10700-10708
Importance of interfacial phenomena in assisted ion extraction by supercritical CO2: a molecular dynamics investigation
Authors: Schurhammer, R Berny, F Wipff, G
Citation: R. Schurhammer et al., Importance of interfacial phenomena in assisted ion extraction by supercritical CO2: a molecular dynamics investigation, PHYS CHEM P, 3(5), 2001, pp. 647-656
Are the hydrophobic AsPh4+ and BPh4- ions equally solvated? A theoretical investigation in aqueous and nonaqueous solutions using different charge distributions (vol 105A, pg 11168, 2001)
Authors: Schurhammer, R Wipff, G
Citation: R. Schurhammer et G. Wipff, Are the hydrophobic AsPh4+ and BPh4- ions equally solvated? A theoretical investigation in aqueous and nonaqueous solutions using different charge distributions (vol 105A, pg 11168, 2001), J PHYS CH A, 105(1), 2001, pp. 292-292
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 (vol 500, pg 139, 2000)
Authors: Schurhammer, R Wipff, G
Citation: R. Schurhammer et G. Wipff, 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 (vol 500, pg 139, 2000), J MOL ST-TH, 536(2-3), 2001, pp. 289-289
Are the hydrophobic AsPh4+ and BPh4- ions equally solvated? A theoretical investigation in aqueous and nonaqueous solutions using different charge distributions
Authors: Schurhammer, R Wipff, G
Citation: R. Schurhammer et G. Wipff, Are the hydrophobic AsPh4+ and BPh4- ions equally solvated? A theoretical investigation in aqueous and nonaqueous solutions using different charge distributions, J PHYS CH A, 104(47), 2000, pp. 11159-11168
Halide anion recognition in water by a hexaprotonated octaaza-cryptand: A molecular dynamics investigation
Authors: Jost, P Schurhammer, R Wipff, G
Citation: P. Jost et al., Halide anion recognition in water by a hexaprotonated octaaza-cryptand: A molecular dynamics investigation, CHEM-EUR J, 6(23), 2000, pp. 4257-4264
Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands: a quantum mechanics study
Authors: Baaden, M Berny, F Boehme, C Muzet, N Schurhammer, R Wipff, G
Citation: M. Baaden et al., Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands: a quantum mechanics study, J ALLOY COM, 303, 2000, pp. 104-111
About the TATE assumption: effect of charge reversal on transfer of large spherical ions from aqueous to non-aqueous solvents and on their interfacial behaviour
Authors: Schurhammer, R Wipff, G
Citation: R. Schurhammer et G. Wipff, About the TATE assumption: effect of charge reversal on transfer of large spherical ions from aqueous to non-aqueous solvents and on their interfacial behaviour, J MOL ST-TH, 500, 2000, pp. 139-155
Distribution of hydrophilic, amphiphilic and hydrophobic ions at a liquid/liquid interface: a molecular dynamics investigation
Authors: Berny, F Schurhammer, R Wipff, G
Citation: F. Berny et al., Distribution of hydrophilic, amphiphilic and hydrophobic ions at a liquid/liquid interface: a molecular dynamics investigation, INORG CHIM, 300, 2000, pp. 384-394
About the TATB hypothesis: solvation of the As Phi(+)(4) and B Phi(-)(4) ions and their tetrahedral and spherical analogues in aqueous/nonaqueous solvents and at a water-chloroform interface
Authors: Schurhammer, R Wipff, G
Citation: R. Schurhammer et G. Wipff, About the TATB hypothesis: solvation of the As Phi(+)(4) and B Phi(-)(4) ions and their tetrahedral and spherical analogues in aqueous/nonaqueous solvents and at a water-chloroform interface, NEW J CHEM, 23(4), 1999, pp. 381-391
Interaction of M3+ lanthanide cations with phosphoryl containing (alkyl)(3)P=O versus (alkyl-O)(3)P=O ligands: steric effects are more important thanbasicity effects
Authors: Schurhammer, R Erhart, V Troxler, L Wipff, G
Citation: R. Schurhammer et al., Interaction of M3+ lanthanide cations with phosphoryl containing (alkyl)(3)P=O versus (alkyl-O)(3)P=O ligands: steric effects are more important thanbasicity effects, J CHEM S P2, (11), 1999, pp. 2423-2431
Risultati: 1-11 |