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研究领域

运用电子结构理论研究不同类型分子体系的化学反应机理。

近期论文

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Xue Zhang, Ayan Datta, David A. Hrovat, and Weston Thatcher Borden*, “Calculations Predict Large Inverse Kinetic Isotope Effects on Tunneling by Carbon in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperatures”, J. Am. Chem. Soc. 2009, 131, 16002-16003. Xue Zhang, David A. Hrovat, and Weston Thatcher Borden*, “Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures”, Org. Lett. 2010, 12, 2798-2801. Xue Zhang, Srikanth Kandala, Li Yang, William H. Watson, Xiaoping Wang, David A. Hrovat, Weston Thatcher Borden,* and Michael G. Richmond*, “Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phospine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP (C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]”, Organometallics 2011, 30, 1253–1268. Xue Zhang, David A. Hrovat, Ayan Datta and Weston Thatcher Borden*, “Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature”, Org. Bio. Chem. 2011, 9, 3142-3145. Xue Zhang, Haifeng Du, Zheng Wang, Yun-Dong Wu,* and Kuiling Ding*, “Experimental and Theoretical Studies on the Hydrogen-Bond-Promoted Enantioselective Hetero-Diels-Alder Reaction of Danishefsky’s Diene with Benzaldehyde”, J. Org. Chem. 2006, 71, 2862-2869. Ollie M. Gonzalez-James, Xue Zhang, Ayan Datta, David A. Hrovat, Weston Thatcher Borden*, and Daniel A. Singleton*, “Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects”, J. Am. Chem. Soc. 2010, 132, 12548-12549. Liu, Y.; Sandoval, C. A.; Yamaguchi, Y.; Zhang, X.; Wang, Z.; Kato, K.; Ding, K*., “Hydrogen Bonding Makes a Difference in the Rhodium-Catalyzed Enantioselective Hydrogenation Using Monodentate Phosphoramidites”, J. Am. Chem. Soc., 2006, 128, 14212-14213. Qing Jing, Xue Zhang, Jie Sun, Kuiling Ding*, “Bulky Achiral Triarylphosphines Mimic BINAP in Ru(II)-Catalyzed Asymmetric Hydrogenation of Ketones”, Adv. Synth. Catal. 2005, 347, 1193–1197. Haifeng Du, Xue Zhang, Zheng Wang, and Kuiling Ding*, “One catalyst for two distinct reactions: sequential asymmetric hetero Diels-Alder reaction and diethylzinc”, Tetrahedron, 2005, 40, 9465-9477. Wen, YQ; Song, YL; Zhao, DB; Ding, KL; Bian, J; Zhang, X; Wang, JX; Liu, Y; Jiang, L; Zhu, DB, “Highly regio- and enantioselective thermal [2+2] cycloaddition of coumarin in a crystalline inclusion complex under high vacuum”, Chem. Commun. 2005, 21, 2732-2734. Yu Yuan, Xue Zhang, and Kuiling Ding*, “Quasi solvent-free enantioselective carbonyl-ene reaction with extremely low catalyst loading”, Angew. Chem. Int. Ed. 2003, 42, 5478 –5480.

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