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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 perspectiveDavid 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 studyLaia Vilella, Pietro Vidossich, David Balcells, et al.
ACS Catalysis|July 18, 2017
Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of AminoalkenesAlexandra 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 studyDavid 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 speciesDavid 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 studyDavid Balcells, Christophe Raynaud, Robert H Crabtree, et al.
ACS Catalysis|June 12, 2025
AI Approaches to Homogeneous Catalysis with Transition Metal ComplexesLucía 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 derivativesDavid Balcells, Gregori Ujaque, Inmaculada Fernandez, et al.
Accounts of Chemical Research|May 7, 2016
Deciphering Selectivity in Organic Reactions: A Multifaceted ProblemDavid Balcells, Eric Clot, Odile Eisenstein, et al.
Angewandte Chemie (International Ed. in English)|September 25, 2014
A carbene-rich but carbonyl-poor [Ir6 (IMe)8 (CO)2 H14 ](2+) polyhydride cluster as a deactivation product from catalytic glycerol dehydrogenationJesús Campos, Liam S Sharninghausen, Robert H Crabtree, et al.
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