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Chemistry (Weinheim an Der Bergstrasse, Germany)
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June 3, 2015
Enantioselective Arylation of N-Tosylimines by Phenylboronic Acid Catalysed by a Rhodium/Diene Complex: Reaction Mechanism from Density Functional Theory
Nicolas Sieffert, Julien Boisson, Sandrine Py
Dalton Transactions (Cambridge, England : 2003)
|
December 7, 2013
Structure of a uranyl peroxo complex in aqueous solution from first-principles molecular dynamics simulations
Michael Bühl, Nicolas Sieffert, Georges Wipff
Inorganic Chemistry
|
December 4, 2010
Water versus acetonitrile coordination to uranyl. Density functional study of cooperative polarization effects in solution
Michael Bühl, Nicolas Sieffert, Alain Chaumont, et al.
The Journal of Physical Chemistry. A
|
February 14, 2008
Density functional theory study of uranium(VI) aquo chloro complexes in aqueous solution
Michael Bühl, Nicolas Sieffert, Volodymyr Golubnychiy, et al.
Inorganic Chemistry
|
September 29, 2009
Effect of counterions on the structure and stability of aqueous uranyl(VI) complexes. A first-principles molecular dynamics study
Michael Bühl, Georg Schreckenbach, Nicolas Sieffert, et al.
Inorganic Chemistry
|
January 12, 2012
Water versus acetonitrile coordination to uranyl. Effect of chloride ligands
Michael Bühl, Nicolas Sieffert, Alain Chaumont, et al.
Dalton Transactions (Cambridge, England : 2003)
|
January 30, 2015
First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)
Nicolas Sieffert, Thomas Kendrick, Davide Tiana, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Liquid Methanol from DFT and DFT/MM Molecular Dynamics Simulations
Nicolas Sieffert, Michael Bühl, Marie-Pierre Gaigeot, et al.
Inorganic Chemistry
|
November 28, 2012
Speciation of La(III) chloride complexes in water and acetonitrile: a density functional study
Michael Bühl, Nicolas Sieffert, Aurélie Partouche, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 6, 2014
On the importance of decarbonylation as a side-reaction in the ruthenium-catalysed dehydrogenation of alcohols: a combined experimental and density functional study
Nicolas Sieffert, Romain Réocreux, Patrizia Lorusso, et al.
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Search research articles
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Showing results (11-20 of 22) with videos related to
Sort By:
Page
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Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 3, 2015
Enantioselective Arylation of N-Tosylimines by Phenylboronic Acid Catalysed by a Rhodium/Diene Complex: Reaction Mechanism from Density Functional Theory
Nicolas Sieffert, Julien Boisson, Sandrine Py
Dalton Transactions (Cambridge, England : 2003)
|
December 7, 2013
Structure of a uranyl peroxo complex in aqueous solution from first-principles molecular dynamics simulations
Michael Bühl, Nicolas Sieffert, Georges Wipff
Inorganic Chemistry
|
December 4, 2010
Water versus acetonitrile coordination to uranyl. Density functional study of cooperative polarization effects in solution
Michael Bühl, Nicolas Sieffert, Alain Chaumont, et al.
The Journal of Physical Chemistry. A
|
February 14, 2008
Density functional theory study of uranium(VI) aquo chloro complexes in aqueous solution
Michael Bühl, Nicolas Sieffert, Volodymyr Golubnychiy, et al.
Inorganic Chemistry
|
September 29, 2009
Effect of counterions on the structure and stability of aqueous uranyl(VI) complexes. A first-principles molecular dynamics study
Michael Bühl, Georg Schreckenbach, Nicolas Sieffert, et al.
Inorganic Chemistry
|
January 12, 2012
Water versus acetonitrile coordination to uranyl. Effect of chloride ligands
Michael Bühl, Nicolas Sieffert, Alain Chaumont, et al.
Dalton Transactions (Cambridge, England : 2003)
|
January 30, 2015
First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)
Nicolas Sieffert, Thomas Kendrick, Davide Tiana, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Liquid Methanol from DFT and DFT/MM Molecular Dynamics Simulations
Nicolas Sieffert, Michael Bühl, Marie-Pierre Gaigeot, et al.
Inorganic Chemistry
|
November 28, 2012
Speciation of La(III) chloride complexes in water and acetonitrile: a density functional study
Michael Bühl, Nicolas Sieffert, Aurélie Partouche, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 6, 2014
On the importance of decarbonylation as a side-reaction in the ruthenium-catalysed dehydrogenation of alcohols: a combined experimental and density functional study
Nicolas Sieffert, Romain Réocreux, Patrizia Lorusso, et al.
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of 3