Shuqiang Niu

THEORETICAL CHARACTERIZATION OF THE REACTION INTERMEDIATES IN A MODEL OF THE NICKEL-IRON HYDROGENASE OF DESULFOVIBRIO GIGAS

Methane Metathesis at a Cationic Iridium Center

Inter- and Intramolecular C−H Activation by a Cationic Iridium(III) Center via Oxidative-Addition Reductive-Elimination and σ-Bond Metathesis Pathways

Modeling the Active Sites in Metalloenzymes 5. The Heterolytic Bond Cleavage of H2 in the [NiFe] Hydrogenase of Desulfovibrio gigas by a Nucleophilic Addition Mechanism

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 15. Catalytic Alkane Dehydrogenation by Iridium(III) Complexes

Comparison of Hartree−Fock, Density Functional, Møller−Plesset Perturbation, Coupled Cluster, and Configuration Interaction Methods for the Migratory Insertion of Nitric Oxide into a Cobalt−Carbon Bond

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 10. Reversal in Stability of Rhodium and Iridium η2-Ethene and Hydridovinyl Complexes

THEORETICAL STUDIES OF INORGANIC AND ORGANOMETALLIC REACTION MECHANISMS. 14. BETA -HYDROGEN TRANSFER AND ALKENE/ALKYNE INSERTION AT A CATIONIC IRIDIUM CENTER

THEORETICAL STUDIES OF INORGANIC AND ORGANOMETALLIC REACTION MECHANISMS. 11. MIGRATORY INSERTION OF COORDINATED NITRIC OXIDE INTO COBALT-CARBON BONDS

Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms 13: Methane, Ethylene, and Acetylene Activation at a Cationic Iridium Center