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Results: 1-9 |
Results: 9
TBP at the water-oil interface: The effect of TBP concentration and water acidity investigated by molecular dynamics simulations
Authors: Baaden, M Burgard, M Wipff, G
Citation: M. Baaden et al., TBP at the water-oil interface: The effect of TBP concentration and water acidity investigated by molecular dynamics simulations, J PHYS CH B, 105(45), 2001, pp. 11131-11141
Lanthanide cation binding to a phosphoryl-calix[4]arene: the importance ofsolvent and counterions investigated by molecular dynamics and quantum mechanical simulations
Authors: Baaden, M Burgard, M Boehme, C Wipff, G
Citation: M. Baaden et al., Lanthanide cation binding to a phosphoryl-calix[4]arene: the importance ofsolvent and counterions investigated by molecular dynamics and quantum mechanical simulations, PHYS CHEM P, 3(7), 2001, pp. 1317-1325
The chloroform TBP aqueous nitric acid interfacial system: a molecular dynamics investigation
Authors: Baaden, M Berny, F Wipff, G
Citation: M. Baaden et al., The chloroform TBP aqueous nitric acid interfacial system: a molecular dynamics investigation, J MOL LIQ, 90(1-3), 2001, pp. 1-9
Cation coordination by calix[4]arenes bearing amide and/or phosphine oxidependant groups: how many arms are needed to bind Li+ vs. Na+? A combined NMR and molecular dynamics study
Authors: Baaden, M Wipff, G Yaftian, MR Burgard, M Matt, D
Citation: M. Baaden et al., Cation coordination by calix[4]arenes bearing amide and/or phosphine oxidependant groups: how many arms are needed to bind Li+ vs. Na+? A combined NMR and molecular dynamics study, J CHEM S P2, (7), 2000, pp. 1315-1321
M3+ lanthanide cation solvation by acetonitrile: The role of cation size, counterions, and polarization effects investigated by molecular dynamics and quantum mechanical simulations
Authors: Baaden, M Berny, F Madic, C Wipff, G
Citation: M. Baaden et al., M3+ lanthanide cation solvation by acetonitrile: The role of cation size, counterions, and polarization effects investigated by molecular dynamics and quantum mechanical simulations, J PHYS CH A, 104(32), 2000, pp. 7659-7671
Complexation of M3+ lanthanide cations by calix[4]arene-CMPO ligands: A molecular dynamics study in methanol solution and at a water/chloroform interface
Authors: Troxler, L Baaden, M Bohmer, V Wipff, G
Citation: L. Troxler et al., Complexation of M3+ lanthanide cations by calix[4]arene-CMPO ligands: A molecular dynamics study in methanol solution and at a water/chloroform interface, SUPRAMOL CH, 12(1), 2000, pp. 27
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
Dependence of NMR isotropic shift averages and nuclear shielding tensors on the internal rotation of the functional group X about the C-X bond in seven simple vinylic derivatives H2C=CH-X
Authors: Baaden, M Granger, P Strich, A
Citation: M. Baaden et al., Dependence of NMR isotropic shift averages and nuclear shielding tensors on the internal rotation of the functional group X about the C-X bond in seven simple vinylic derivatives H2C=CH-X, MOLEC PHYS, 98(6), 2000, pp. 329-342
Calix[4]arenes as selective extracting agents. An NMR dynamic and conformational investigation of the lanthanide(III) and thorium(IV) complexes
Authors: Lambert, B Jacques, V Shivanyuk, A Matthews, SE Tunayar, A Baaden, M Wipff, G Bohmer, V Desreux, JF
Citation: B. Lambert et al., Calix[4]arenes as selective extracting agents. An NMR dynamic and conformational investigation of the lanthanide(III) and thorium(IV) complexes, INORG CHEM, 39(10), 2000, pp. 2033-2041
Risultati: 1-9 |