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June 9, 2017
Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex
Daniel Burschowsky, Ute Krengel, Einar Uggerud, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 25, 2016
Coordination and insertion of alkenes and alkynes in Au(III) complexes: nature of the intermediates from a computational perspective
David Balcells, Odile Eisenstein, Mats Tilset, et al.
Dalton Transactions (Cambridge, England : 2003)
|
September 16, 2011
Basic ancillary ligands promote O-O bond formation in iridium-catalyzed water oxidation: a DFT study
Laia Vilella, Pietro Vidossich, David Balcells, et al.
ACS Catalysis
|
July 18, 2017
Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes
Alexandra E Strom, David Balcells, John F Hartwig
Inorganic Chemistry
|
September 16, 2008
A rational basis for the axial ligand effect in C-H oxidation by [MnO(porphyrin)(X)]+ (X = H2O, OH-, O2-) from a DFT study
David Balcells, Christophe Raynaud, Robert H Crabtree, et al.
Chemical Communications (Cambridge, England)
|
May 16, 2008
The rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species
David Balcells, Christophe Raynaud, Robert H Crabtree, et al.
Chemical Communications (Cambridge, England)
|
March 19, 2009
C-H oxidation by hydroxo manganese(v) porphyrins: a DFT study
David Balcells, Christophe Raynaud, Robert H Crabtree, et al.
ACS Catalysis
|
June 12, 2025
AI Approaches to Homogeneous Catalysis with Transition Metal Complexes
Lucía Morán-González, Arron L Burnage, Ainara Nova, et al.
The Journal of Organic Chemistry
|
August 12, 2006
Mechanism of the base-assisted displacement of chloride by alcohol in sulfinyl derivatives
David Balcells, Gregori Ujaque, Inmaculada Fernandez, et al.
Accounts of Chemical Research
|
May 7, 2016
Deciphering Selectivity in Organic Reactions: A Multifaceted Problem
David Balcells, Eric Clot, Odile Eisenstein, et al.
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of 7
Search research articles
Search
Showing results (11-20 of 61) with videos related to
Sort By:
Page
of 7
FEBS Open Bio
|
June 9, 2017
Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex
Daniel Burschowsky, Ute Krengel, Einar Uggerud, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 25, 2016
Coordination and insertion of alkenes and alkynes in Au(III) complexes: nature of the intermediates from a computational perspective
David Balcells, Odile Eisenstein, Mats Tilset, et al.
Dalton Transactions (Cambridge, England : 2003)
|
September 16, 2011
Basic ancillary ligands promote O-O bond formation in iridium-catalyzed water oxidation: a DFT study
Laia Vilella, Pietro Vidossich, David Balcells, et al.
ACS Catalysis
|
July 18, 2017
Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes
Alexandra E Strom, David Balcells, John F Hartwig
Inorganic Chemistry
|
September 16, 2008
A rational basis for the axial ligand effect in C-H oxidation by [MnO(porphyrin)(X)]+ (X = H2O, OH-, O2-) from a DFT study
David Balcells, Christophe Raynaud, Robert H Crabtree, et al.
Chemical Communications (Cambridge, England)
|
May 16, 2008
The rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species
David Balcells, Christophe Raynaud, Robert H Crabtree, et al.
Chemical Communications (Cambridge, England)
|
March 19, 2009
C-H oxidation by hydroxo manganese(v) porphyrins: a DFT study
David Balcells, Christophe Raynaud, Robert H Crabtree, et al.
ACS Catalysis
|
June 12, 2025
AI Approaches to Homogeneous Catalysis with Transition Metal Complexes
Lucía Morán-González, Arron L Burnage, Ainara Nova, et al.
The Journal of Organic Chemistry
|
August 12, 2006
Mechanism of the base-assisted displacement of chloride by alcohol in sulfinyl derivatives
David Balcells, Gregori Ujaque, Inmaculada Fernandez, et al.
Accounts of Chemical Research
|
May 7, 2016
Deciphering Selectivity in Organic Reactions: A Multifaceted Problem
David Balcells, Eric Clot, Odile Eisenstein, et al.
Page
of 7