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Shuqiang Niu

Georgetown University

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Publication

Featured researches published by Shuqiang Niu.

Journal of the American Chemical Society | 1999

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

Shuqiang Niu; and Lisa M. Thomson; Michael B. Hall

Journal of the American Chemical Society | 1996

Methane Metathesis at a Cationic Iridium Center

Douglas L. Strout; Snežana D. Zarić; Shuqiang Niu; Michael B. Hall

Journal of the American Chemical Society | 1998

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

Shuqiang Niu; Michael B. Hall

Inorganic Chemistry | 2001

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

Shuqiang Niu; Michael B. Hall

Journal of the American Chemical Society | 1999

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

Shuqiang Niu; Michael B. Hall

Journal of Physical Chemistry A | 1997

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

Shuqiang Niu; Michael B. Hall

Organometallics | 1997

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

Rogelio Jimenez-Catano; Shuqiang Niu; Michael B. Hall

Organometallics | 1998

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

Shuqiang Niu; Snežana D. Zarić; Craig A. Bayse; Douglas L. Strout; Michael B. Hall

Journal of the American Chemical Society | 1997

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

Shuqiang Niu; Michael B. Hall

Archive | 1999

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

Shuqiang Niu; Douglas L. Strout; Snežana D. Zarić; Craig A. Bayse; Michael B. Hall

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Michael B. Hall

Texas A

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Douglas L. Strout

Rice University

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Snežana D. Zarić

University of Belgrade

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Craig A. Bayse

Texas A

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Agnes Derecskei-Kovacs

Texas A

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Hua-Jun Fan

Texas A

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Lisa M. Thomson

Texas A

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Shuhua Li

Texas A

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Yubo Fan

Texas A

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Alejandro Pardo

Spanish National Research Council

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