Hydrogen generation from alcohols catalyzed by ruthenium− triphenylphosphine complexes: multiple reaction pathways N Sieffert, M Bühl Journal of the American Chemical Society 132 (23), 8056-8070, 2010 | 221 | 2010 |
The [BMI][Tf2N] Ionic Liquid/Water Binary System: A Molecular Dynamics Study of Phase Separation and of the Liquid−Liquid Interface N Sieffert, G Wipff The Journal of Physical Chemistry B 110 (26), 13076-13085, 2006 | 163 | 2006 |
Noncovalent interactions in a transition-metal triphenylphosphine complex: a density functional case study N Sieffert, M Bühl Inorganic chemistry 48 (11), 4622-4624, 2009 | 161 | 2009 |
Ordering of Imidazolium-Based Ionic Liquids at the α-Quartz (001) Surface: A Molecular Dynamics Study N Sieffert, G Wipff The Journal of Physical Chemistry C 112 (49), 19590-19603, 2008 | 83 | 2008 |
Water versus acetonitrile coordination to uranyl. Density functional study of cooperative polarization effects in solution M Bühl, N Sieffert, A Chaumont, G Wipff Inorganic Chemistry 50 (1), 299-308, 2011 | 62 | 2011 |
Liquid methanol from DFT and DFT/MM molecular dynamics simulations N Sieffert, M Bühl, MP Gaigeot, CA Morrison Journal of Chemical Theory and Computation 9 (1), 106-118, 2013 | 60 | 2013 |
Comparing an ionic liquid to a molecular solvent in the cesium cation extraction by a calixarene: a molecular dynamics study of the aqueous interfaces N Sieffert, G Wipff The Journal of Physical Chemistry B 110 (39), 19497-19506, 2006 | 60 | 2006 |
Importance of interfacial adsorption in the biphasic hydroformylation of higher olefins promoted by cyclodextrins: A molecular dynamics study at the decene/water interface N Sieffert, G Wipff Chemistry–A European Journal 13 (7), 1978-1990, 2007 | 58 | 2007 |
Adsorption at the Liquid− Liquid Interface in the Biphasic Rhodium Catalyzed Hydroformylation of Olefins Promoted by Cyclodextrins: A Molecular Dynamics Study N Sieffert, G Wipff The Journal of Physical Chemistry B 110 (9), 4125-4134, 2006 | 56 | 2006 |
Alkali cation extraction by calix [4] crown-6 to room-temperature ionic liquids. The effect of solvent anion and humidity investigated by molecular dynamics simulations N Sieffert, G Wipff The Journal of Physical Chemistry A 110 (3), 1106-1117, 2006 | 54 | 2006 |
Density functional theory study of uranium (VI) aquo chloro complexes in aqueous solution M Bühl, N Sieffert, V Golubnychiy, G Wipff The Journal of Physical Chemistry A 112 (11), 2428-2436, 2008 | 53 | 2008 |
On the Importance of Decarbonylation as a Side‐Reaction in the Ruthenium‐Catalysed Dehydrogenation of Alcohols: A Combined Experimental and Density Functional Study N Sieffert, R Réocreux, P Lorusso, DJ Cole‐Hamilton, M Bühl Chemistry–A European Journal 20 (14), 4141-4155, 2014 | 48 | 2014 |
Evidence of a Donor–Acceptor (Ir–H)→SiR3 Interaction in a Trapped Ir(III) Silane Catalytic Intermediate M Hamdaoui, M Ney, V Sarda, L Karmazin, C Bailly, N Sieffert, S Dohm, ... Organometallics 35 (13), 2207-2223, 2016 | 45 | 2016 |
Effect of counterions on the structure and stability of aqueous uranyl (VI) complexes. a first-principles molecular dynamics study M Bühl, G Schreckenbach, N Sieffert, G Wipff Inorganic chemistry 48 (21), 9977-9979, 2009 | 33 | 2009 |
Solvation of sodium chloride in the 1-butyl-3-methyl-imidazolium bis (trifluoromethylsulfonyl) imide ionic liquid: A molecular dynamics study N Sieffert, G Wipff The Journal of Physical Chemistry B 111 (25), 7253-7266, 2007 | 33 | 2007 |
Rhodium-Catalyzed Hydroformylation of 1-Hexene in an Ionic Liquid: A Molecular Dynamics Study of the Hexene/[BMI][PF6] Interface N Sieffert, G Wipff The Journal of Physical Chemistry B 111 (18), 4951-4962, 2007 | 31 | 2007 |
Importance of the Liquid− Liquid Interface in Assisted Ion Extraction: New Molecular Dynamics Studies of Cesium Picrate Extraction by a Calix [4] arene N Sieffert, A Chaumont, G Wipff The Journal of Physical Chemistry C 113 (24), 10610-10622, 2009 | 30 | 2009 |
Density functional study of aqueous uranyl (VI) fluoride complexes M Bühl, N Sieffert, G Wipff Chemical Physics Letters 467 (4-6), 287-293, 2009 | 30 | 2009 |
Water versus acetonitrile coordination to uranyl. Effect of chloride ligands M Bühl, N Sieffert, A Chaumont, G Wipff Inorganic Chemistry 51 (3), 1943-1952, 2012 | 29 | 2012 |
QSPR Modeling of the AmIII/EuIII Separation Factor: How Far Can we Predict ? A Varnek, D Fourches, N Sieffert, VP Solov'ev, C Hill, M Lecomte Solvent Extraction and Ion Exchange 25 (1), 1-26, 2007 | 24 | 2007 |