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Alain Dedieu

Centre national de la recherche scientifique

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Mechanistic Studies on the Copper‐Catalyzed Hydrosilylation of Ketones

2010 European Journal of Inorganic Chemistry
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The nature of oxygen binding in heme models

2010 Bulletin des Sociétés Chimiques Belges
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End‐on versus side‐on coordination of dioxygen: An ab initio calculation for peroxotitaniumporphyrin

2009 International Journal of Quantum Chemistry
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Application of the DFT Method to the Study of Intramolecular Palladium Shifts in Aryl and Polyaryl Complexes

2009 ChemInform
- Alain Dedieu
- Antonio J. Mota
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Intramolecular 1,n Palladium Migrations in Polycyclic Aromatic Hydrocarbons. Palladium(II) versus Palladium(IV) Mechanisms: A Theoretical Study

2006 Organometallics
- Antonio J. Mota† and
- Alain Dedieu
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Cyclocarbopalladation involving an unusual 1,5-palladium vinyl to aryl shift as termination step: theoretical study of the mechanism.

2005 Journal of the American Chemical Society
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Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: an experimental and theoretical study

2005 Dalton Transactions
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Controlled Synthesis of α-Allenic Ester and Spiro Ketone Derivatives from Tailored α-Substituted Cycloalkanones Through Cascade Reactions: Exploring the Possible Reaction Pathways by Means of Semiempirical MO Calculations

2005 European Journal of Organic Chemistry
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Theoretical study of the semihydrogenation of alkynes catalyzed by Pd(0) complexes: Is a zwitterionic pathway possible?

2004 Theoretical Chemistry Accounts
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ChemInform Abstract: Interaction of Trivalent Lanthanide Cations with Nitrate Anions: A Quantum Chemical Investigation of Monodentate/Bidentate Binding Modes.

2002 ChemInform
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