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Chemical Society Reviews
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March 29, 2014
Chemical applications carried out by local pair natural orbital based coupled-cluster methods
Manuel Sparta, Frank Neese
Plos One
|
October 12, 2012
How metal substitution affects the enzymatic activity of catechol-o-methyltransferase
Manuel Sparta, Anastassia N Alexandrova
The Journal of Chemical Physics
|
February 10, 2011
Vibrational coupled cluster response theory: a general implementation
Peter Seidler, Manuel Sparta, Ove Christiansen
Journal of Chemical Theory and Computation
|
November 19, 2015
Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster Study
Manuel Sparta, Christoph Riplinger, Frank Neese
Journal of the American Chemical Society
|
June 9, 2007
Activity of rhodium-catalyzed hydroformylation: added insight and predictions from theory
Manuel Sparta, Knut J Børve, Vidar R Jensen
The Journal of Physical Chemistry. A
|
October 13, 2006
Structure and stability of networked metallofullerenes of the transition metals
Manuel Sparta, Knut J Børve, Vidar R Jensen
Journal of Chemical Theory and Computation
|
November 22, 2015
The Role of the Flexible L43-S54 Protein Loop in the CcrA Metallo-β-lactamase in Binding Structurally Dissimilar β-Lactam Antibiotics
Crystal E Valdez, Manuel Sparta, Anastassia N Alexandrova
Journal of Molecular Biology
|
May 18, 2013
Metal-dependent activity of Fe and Ni acireductone dioxygenases: how two electrons reroute the catalytic pathway
Manuel Sparta, Crystal E Valdez, Anastassia N Alexandrova
The Journal of Physical Chemistry. A
|
July 9, 2009
Potential energy surfaces for vibrational structure calculations from a multiresolution adaptive density-guided approach: implementation and test calculations
Manuel Sparta, Ida-Marie Høyvik, Daniele Toffoli, et al.
Angewandte Chemie (International Ed. in English)
|
July 11, 2012
B13+ : a photodriven molecular Wankel engine
Jin Zhang, Alina P Sergeeva, Manuel Sparta, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Chemical Society Reviews
|
March 29, 2014
Chemical applications carried out by local pair natural orbital based coupled-cluster methods
Manuel Sparta, Frank Neese
Plos One
|
October 12, 2012
How metal substitution affects the enzymatic activity of catechol-o-methyltransferase
Manuel Sparta, Anastassia N Alexandrova
The Journal of Chemical Physics
|
February 10, 2011
Vibrational coupled cluster response theory: a general implementation
Peter Seidler, Manuel Sparta, Ove Christiansen
Journal of Chemical Theory and Computation
|
November 19, 2015
Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster Study
Manuel Sparta, Christoph Riplinger, Frank Neese
Journal of the American Chemical Society
|
June 9, 2007
Activity of rhodium-catalyzed hydroformylation: added insight and predictions from theory
Manuel Sparta, Knut J Børve, Vidar R Jensen
The Journal of Physical Chemistry. A
|
October 13, 2006
Structure and stability of networked metallofullerenes of the transition metals
Manuel Sparta, Knut J Børve, Vidar R Jensen
Journal of Chemical Theory and Computation
|
November 22, 2015
The Role of the Flexible L43-S54 Protein Loop in the CcrA Metallo-β-lactamase in Binding Structurally Dissimilar β-Lactam Antibiotics
Crystal E Valdez, Manuel Sparta, Anastassia N Alexandrova
Journal of Molecular Biology
|
May 18, 2013
Metal-dependent activity of Fe and Ni acireductone dioxygenases: how two electrons reroute the catalytic pathway
Manuel Sparta, Crystal E Valdez, Anastassia N Alexandrova
The Journal of Physical Chemistry. A
|
July 9, 2009
Potential energy surfaces for vibrational structure calculations from a multiresolution adaptive density-guided approach: implementation and test calculations
Manuel Sparta, Ida-Marie Høyvik, Daniele Toffoli, et al.
Angewandte Chemie (International Ed. in English)
|
July 11, 2012
B13+ : a photodriven molecular Wankel engine
Jin Zhang, Alina P Sergeeva, Manuel Sparta, et al.
Page
of 2