Publications
Citations per year
Publications
Citations
Collaborators
2018
36. Metallo-supramolecular Co(II) polygons for H2O oxidation
35. Establishing and Breaking Linear Scaling Relations for Molecular OER Catalysts
34. RhIAr/AuIAr’ Transmetalation, a Case of Group Exchange Pivoting on Formation of M-M’ Bonds via Oxidative Insertion
33. Experimental and Computational Study of Dopamine as an Electrochemical Probe of the Surface Nanostructure of Graphitized N-Doped Carbon
32. Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes
31. Mimicking Class I b Mn2-Ribonucleotide Reductase: A MnII2 Complex and Its Reaction with Superoxide
30. Hidden Aryl-Exchange Processes in Stable 16e RhIII [RhCp*Ar2] Complexes, and their Unexpected Transmetalation Mechanism
29. Computational Modelling of Water Oxidation Catalysts
2017
28. Equilibrium Oxygen Redox Capacity of Ultrathin CeO2-δ Depends Non-Monotonically on Large Biaxial Strain
27. Edge Reactivity and Water-Assisted Dissociation on Cobalt Oxide Nanoislands
26. Rhodium Complexes Promoting C-O Bond Formation in Reactions with Oxygen: The Role of Superoxo Species
25. Mechanistic Insights into Heterogeneous Methane Activation
2016
24. Two-dimensional Materials as Catalysts for Energy Conversion
23. Gold-Supported Cerium-doped NiOx Catalysts for Water Oxidation
22. Homogeneously Dispersed Multimetal Oxygen-Evolving Catalysts
21. Computationally Probing the Performance of Hybrid, Heterogeneous and Homogeneous Ir-based Catalysts for Water Oxidation
20. Dramatic Mechanistic Switch in Sn/AuI Group Exchanges: Transmetalation vs. Oxidative Addition
2015
19. Enhancing Catalytic CO Oxidation over Co3O4 Nanowires by Substituting Co2+ with Cu2+
18. When the Solvent Locks the Cage: Theoretical Insight into the Transmetalation of MOF-5 Lattices and its Kinetic Limitations
17. Unraveling the Structure Sensitivity in Methanol Conversion on CeO2: A DFT+U Study
16. Structure, Activity, and Deactivation Mechanisms in Double Metal Cyanide Catalysts in the Production of Polyols
2014
15. Unique Reaction Path in Heterogeneous Catalysis: The Concerted Semi-Hydrogenation of Propyne to Propene on CeO2
14. Homolytic Products from Heterolytic Paths in H2 Dissociation on Metal Oxides: The example of CeO2
2013
13. Promoted Ceria: A Structural, Catalytic, and Computational Study
12. How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles
11. Stille Coupling Involving Bulky Groups Feasible with Gold Cocatalyst
10. Computational perspective on Pd-catalyzed C–C cross-coupling reaction mechanisms
9. Book Chapter: C–C Bond Formation
8. Book: A Theoretical Study on Pd-catalyzed Cross-Coupling Reactions
2012
7. Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes
6. Mechanistic Exploration of the Pd-Catalyzed Copper-Free Sonogashira Reaction
2011
5. Mechanistic Analysis of Iridium(III) Catalyzed Direct sp2 C-H Arylation: A DFT Study
4. Cationic Intermediates in the Pd-Catalyzed Negishi Coupling. Kinetic and DFT Study of Alternative Transmetalation Pathways in the Me-Me Coupling of ZnMe2 and trans-PdMeCl(PMePh2)2
3. Book Chapter: Theoretical Evaluation of Phosphine Effects in Cross-Coupling Reactions
2010
2. Palladium Roundtrip in the Negishi Coupling of trans-[PdMeCl(PMePh2)2] with ZnMeCl: Experimental and DFT Study of the Transmetalation Step
2009
1. The C-C Reductive Elimination in Palladium Complexes, and the Role of Coupling Additives. A DFT Study Supported by Experiment
