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University of Colorado Denver College of Liberal Arts and Sciences

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Xiaotai Wang

Dang, Y.; Qu, S.; Nelson, J. W.; Pham, H. D.; Wang, Z.-X.; Wang, X. (2015)
“The Mechanism of a Ligand-Promoted C(sp3)–H Activation and Arylation Reaction via Palladium Catalysis: Theoretical Demonstration of a Pd(II)/Pd(IV) Redox Manifold,” J. Am. Chem. Soc. 2015, DOI: 10.1021/ja512374g.
Nelson, J. W.; Grundy, L. M.; Dang, Y.; Wang, Z.-X.; Wang, X. (2014)

“Mechanism of Z-Selective Olefin Metathesis Catalyzed by a Ruthenium Monothiolate Carbene Complex: A DFT Study,”  Organometallics 2014, 33, 4290–4294.

Dang, Y.; Qu, S.; Wang, Z.-X.; Wang, X. (2014)
“A Computational Mechanistic Study of an Unprecedented Heck-Type Relay Reaction: Insight into the Regio- and Enantioselectivities,” J. Am. Chem. Soc. 2014, 136, 986−998

Dang, Y.; Qu, S.; Wang, Z.-X.; Wang, X. (2013)

“Mechanism and Origins of Z Selectivity of the Catalytic Hydroalkoxylation of Alkynes via Rhodium Vinylidene Complexes to Produce Enol Ethers,” Organometallics, 2013, 32, 2804–2813.

Wang, X.; San, L. K.; Nguyen, H.; Shafer, N. M.; Hernandez, M. T.; Chen, Z. (2013)

“Alkaline Earth Metal–Organic Frameworks Supported by Ditopic Carboxylates,” J. Coord. Chem., 2013, 66, 826−835. 

Dang, Y.; Wang, Z.-X.; Wang, X.(2013)

Does the Ruthenium Nitrato Catalyst Work Differently in Z-Selective Olefin Metathesis? A DFT Study,” Organometallics 2012, 31, 8654−8657.

Dang, Y.; Wang, Z.-X.; Wang, X. (2012)

A Thorough DFT Study of the Mechanism of Homodimerization of Terminal Olefins through Metathesis with a Chelated Ruthenium Catalyst: from Initiation to Z-Selectivity to Regeneration,” Organometallics 2012, 31, 7222−7234.

Li, H.; Wang, X.; Wen, M.; Wang, Z.-X. (2012)

Computational Insight into the Mechanism of Selective Imine Formation from Alcohol and Amine Catalyzed by the Ruthenium(II)-PNP Pincer Complex,” Eur. J. Inorg. Chem. 2012, 5011–5020.

Li, H.; Wang, X.; Huang, F.; Lu, G.; Jiang, J.; Wang, Z.-X. (2011)

 “Computational Study on the Catalytic Role of Pincer Ruthenium(II)-PNN Complex in Directly Synthesizing Amide from Alcohol and Amine: The Origin of Selectivity of Amide over Ester and Imine,” Organometallics 2011, 30, 5233–5247.

Lan, A.; Chen, L.; Yuan, D.; Huang, Y.; Hong, M.; Wang, X. (2011)

Three-Component Reactions Leading to 2D and 3D Metal–Organic Frameworks Assembled on Dinickel-Carboxylate Secondary Building Units,” Polyhedron 2011, 30, 47–52.