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Nicolas Sieffert
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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
2212010
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
1632006
Noncovalent interactions in a transition-metal triphenylphosphine complex: a density functional case study
N Sieffert, M Bühl
Inorganic chemistry 48 (11), 4622-4624, 2009
1612009
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
832008
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
622011
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
602013
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
602006
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
582007
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
562006
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
542006
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
532008
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
482014
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
452016
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
332009
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
332007
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
312007
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
302009
Density functional study of aqueous uranyl (VI) fluoride complexes
M Bühl, N Sieffert, G Wipff
Chemical Physics Letters 467 (4-6), 287-293, 2009
302009
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
292012
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
242007
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