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Jian Wang, Yuchen Zhang, Lin Zhu, Xiao-Song Xue, Chaozhong Li*, Angew. Chem. Int. Ed. 2024, e202400856.

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139."Formaldehyde-Mediated Hydride Liberation of Alkylamines for Intermolecular Reactions in Hexafluoroisopropanol"

Shaokun Cai^#, Hong Tang^#, Bo Li^#, Yingbo Shao, Danqi Zhang, Hanliang Zheng, Tianjiao Qiao, Xin Chu, Gang He, Xiao-Song Xue*, and Gong Chen*, J. Am. Chem. Soc. 2024

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Zhiyuan Peng^#, Shoujun Sun^#, Meng-Meng Zheng^#, Yangyang Li, Xixi Li, Suhua Li, Xiao-Song Xue*, Jiajia Dong*, Bing Gao*, Nat. Chem. 2024

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137."Computational Study on the Mechanism of Chen’s Reagent as Trifluoromethyl Source" (Part of Organic fluorine chemistry Virtual Issue)

Guanglong Huang, Xiao-Song Xue*, Acta Chimica Sinica 2024

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136."A machine learning model for predicting enantioselectivity in hypervalent iodine(III) catalyzed asymmetric phenolic dearomatizations"

Ben Gao, Liu Cai, Yuchen Zhang, Huaihai Huang, Yao Li*, and Xiao-Song Xue*, CCS Chem. 2024

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135."Iridium-Catalyzed Enantioselective Transfer Hydrogenation of 1,1-Dialkylethenes with Ethanol: Scope and Mechanism"

Lu Qian, Cui Yu, Lan Gan, Xixia Tang, Yulei Wang, Guixia Liu, Xuebing Leng, Zhao Sun, Yinlong Guo, Xiao-Song Xue*, and Zheng Huang*, J. Am. Chem. Soc. 2024

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134."Prediction of 19F NMR chemical shift by machine learning" (Part of Robotic AI-Chemist Issue)

Yao Li*, Wen-Shuo Huang^#, Li Zhang^#, Dan Su^#, Haoran Xu, Xiao-Song Xue*, Artif. Intell. Chem. 2024, 2, 100043.

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133."Iron-Catalyzed Regioselective Reductive Fluoroalkylalkenylation of Unactivated Alkenes"

Siyu Wang, Bohao Guo, Tong Mu, Zhengli Liu, Yun He*, Xiao-Song Xue, and Zhang Feng*, ACS Catal. 2024, 14, 1575–1583.

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132."Enantioselective Synthesis of Planar-Chiral Sulfur-ContainingCyclophanes by Chiral Sulfide Catalyzed ElectrophilicSulfenylation of Arenes"

Deng Zhu, Tong Mu, Ze-Long Li, Hui-Yun Luo, Ren-Fei Cao, Xiao-Song Xue*, and Zhi-Min Chen*, Angew. Chem. Int. Ed. 2024, e202318625.

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131."Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers"

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129."Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes"

Ying Zhang#, Jimin Yang#, Yu-Long Ruan#, Ling Liao, Chuang Ma, Xiao-Song Xue*, Jin-Sheng Yu*, Chem. Sci. 2023, 14, 12676-12683.

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Yongrui Luo#, Yuli Li#, Jian Wu, Xiao-Song Xue*, John F. Hartwig*, Qilong Shen*, Science 2023, 381, 1072-1079

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127."Radical Arbuzov Reaction"

Linxiang Chai#, Jian Wang#, Jimin Yang, Junyue Yin, Zhuyong Zhang, Yulu Cheng, Lin Zhu*, Xiao-Song Xue*, Chaozhong Li*, CCS Chem. 2023

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Xin Zeng, Yao Li, Qiao-Qiao Min, Xiao-Song Xue*, Xingang Zhang*, Nat. Chem. 2023, 15, 1064–1073

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122."Computational Insights into the Reactivity Difference between Hypervalent Bromine(III) and Hypervalent Iodine(III) Reagent in the C-H Amination and Alkene Aziridination" (Dedicated to Professor Kazuaki Ishihara on the occasion of his 60th birthday)

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117. "Copper-Catalyzed Hydrodifluoroalkylation of N-benzylacrylamides via Intramolecular 1,4-Hydrogen Atom Transfer: Reaction Development and Mechanistic Insights"

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Hanliang Zheng#, Liu Cai#, Ming Pan, Muhammet Uyanik, Kazuaki Ishihara, and Xiao-Song Xue*, J. Am. Chem. Soc. 2023, 145, 7301-7312.

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Cui Yu, Yueqian Sang, Yao Li*, Xiaosong Xue*, Molecules 2023, 28(4), 1669.

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Ana Martin-Somer*, Xiao-Song Xue, Cooper S. Jamieson, Yike Zou, K.N. Houk*, J. Am. Chem. Soc. 2023, 145, 7, 4221-4230.

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76. "Highly γ‐Selective Arylation and Carbonylative Arylation of 3‐Bromo‐3,3‐difluoropropene via Nickel Catalysis."

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Xiao-Song Xue, Cooper S. Jamieson, Marc Garcia-Borràs, Xiaofei Dong, Zhongyue Yang, K. N. Houk*, J. Am. Chem. Soc. 2019, 141, 1217-1221.

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Jiahang Lv, Xiangyang Chen, Xiao-Song Xue, Binlin Zhao, Yue Zhao, Yi Lu , Jing Zhao, Wei-Yin Sun, Yong Liang, K. N. Houk*, Zhuangzhi Shi*, Nature 2019, 575, 336-340.

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59. "Computational I (III)―X BDEs for Benziodoxol (on)e‐based Hypervalent Iodine Reagents: Implications for their Functional Group Transfer Abilities."

Jin-Dong Yang*, Man Li, Xiao-Song Xue*, Chin. J. Chem. 2019, 37, 359-363.

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58. "Visible-Light-Driven Neutral Nitrogen Radical Mediated Intermolecular Styrene Difunctionalization."

Quan-Qing Zhao, Man Li, Xiao-Song Xue*, Jia-Rong Chen*, Wen-Jing Xiao*, Org. Lett. 2019, 21, 3861-3865.

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57. "Chiral Spiro Phosphoric Acid-Catalyzed Friedel–Crafts Conjugate Addition/Enantioselective Protonation Reactions."

Yi-Pan Li, Ziqi Li, Biying Zhou, Mao-Lin Li, Xiao-Song Xue, Shou-Fei Zhu*, Qi-Lin Zhou*, ACS Catal. 2019, 9, 6522-6529.

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56. "Transition-Metal-Free ipso-Trifluoromethylthiolation of Lithium Aryl Boronates."

Feng Shen, Hanliang Zheng, Xiao-Song Xue, Long Lu*, Qilong Shen*, Org. Lett. 2019. 21, 6347-6351.

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55. "Factors Controlling Reactivity in the Hydrogen Atom Transfer and Radical Addition Steps of a Radical Relay Cascade."

Yike Zou, Xiao-Song Xue, Yifan Deng, Amos B Smith III, K. N. Houk*, Org. Lett. 2019, 21, 5894-5897.

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54. "Open-Shell Fluorination of Alkyl Bromides: Unexpected Selectivity in a Silyl Radical-Mediated Chain Process."

Gabrielle H. Lovett, Shuming Chen, Xiao-Song Xue, K. N. Houk*, David W. C. MacMillan*, J. Am. Chem. Soc. 2019, 141, 51, 20031-20036.

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53. "Expanding the Frontiers of Higher-Order Cycloadditions."

David McLeod, Mathias Kirk Thøgersen, Nicolaj Inunnguaq Jessen, Karl Anker Jørgensen, Cooper S. Jamieson, Xiao-Song Xue, K. N. Houk*, Fang Liu*, Roald Hoffmann*, Acc. Chem. Res. 2019, 52, 3488-3501.

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52. "Chemodivergent and Stereoselective Construction of gem-Difluoroallylic Amines from Masked Difluorodiazo Reagents."

Jun-Liang Zeng, Yue Zhang, Meng-Meng Zheng, Zhi-Qi Zhang, Xiao-Song Xue, Fa-Guang Zhang*, Jun-An Ma*, Org. Lett. 2019, 21, 8244-8249.

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51. "Catalytic Enantioselective Cyclopropenation of Internal Alkynes: Access to Difluoromethylated Three-Membered Carbocycles."

Zhi-Qi Zhang, Meng-Meng Zheng, Xiao-Song Xue, Ilan Marek*, Fa-Guang Zhang*, Jun-An Ma, Angew.Chem. Int .Ed. 2019, 58, 18191-18196.

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50. "Near-Infrared Afterglow Luminescent Aggregation-Induced Emission Dots with Ultrahigh Tumor-to-Liver Signal Ratio for Promoted Image-Guided Cancer Surgery"

Xiang Ni , Xiaoyan Zhang , Xingchen Duan , Han-Liang Zheng , Xiao-Song Xue , Dan Ding*, Nano Lett. 2019, 19, 1, 318-330.

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2018

49. "Mechanism and Origins of Chemo- and Stereoselectivities of Aryl Iodide-Catalyzed Asymmetric Difluorinations of β-Substituted Styrenes."

Biying Zhou, Moriana K. Haj, Eric N. Jacobsen, K. N. Houk*, Xiao-Song Xue*, J. Am. Chem. Soc. 2018, 140, 15206-15218.

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48. "Exploration of the Synthetic Potential of Electrophilic Trifluoromethylthiolating and Difluoromethylthiolating Reagents."

Jingjing Zhang, Jin-Dong Yang, Hanliang Zheng, Xiao-Song Xue*, Herbert Mayr*, Jin-Pei Cheng, Angew. Chem. Int. Ed. 2018, 57, 12690-12695.

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47. "Origins of Selectivities in the Stork Diels–Alder Cycloaddition for the Synthesis of (±)-4-Methylenegermine."

Xiao-Song Xue, Levandowski, Brian J., Cyndi Qixin He, K. N. Houk*, Org. Lett., 2018. 20, 6108-6111.

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46. "Recent Advances and Advisable Applications of Bond Energetics in Organic Chemistry."

Jin-Dong Yang, Pengju Ji, Xiao-Song Xue, Jin-Pei Cheng*, J. Am. Chem. Soc. 2018, 140, 8611-8623.

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45. "Origin of Stereocontrol in Photoredox Organocatalysis of Asymmetric α-Functionalizations of Aldehydes."

Man Li, Yueqian Sang, Xiao-Song Xue*, Jin-Pei Cheng, J. Org. Chem. 2018. 83, 3333-3338.

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44. "A Systematic Theoretical Study on the Acidities for Cations of Ionic Liquids in Dimethyl Sulfoxide."

Zhen Wang, Yongjun Zheng, Yong Zheng, Xiao-Song Xue*, Pengju Ji*, J. Phys. Chem. A 2018, 122, 5750-5755.

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Zhen Wang, Fang Wang, Xiao-Song Xue*, Pengju Ji*, Org. Lett. 2018, 20, 6041-6045.

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42. "Radical C–H Arylation of Oxazoles with Aryl Iodides: dppf as an Electron-Transfer Mediator for Cs2CO3."

Zhengwei Guo, Man Li, Xue-Qing Mou, Gang He*, Xiao-Song Xue*, Gong Chen*, Org. Lett. 2018, 20, 1684-1687.

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41. "Carbon-Selective Difluoromethylation of Soft Carbon Nucleophiles with Difluoromethylated Sulfonium Ylide."

Jiansheng Zhu, Hanliang Zheng, Xiao-Song Xue*, Yisa Xiao, Yafei Liu, Qilong Shen*. Chin. J. Chem. 2018. 36, 1069-1074.

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40. "Computational Study of the Trifluoromethyl Radical Donor Abilities of CF3 Sources" (Invited article)

Man Li, Huiying Kang, Xiao-Song Xue*, Jin-Pei Cheng, Acta Chim. Sinica 2018, 76, 988-996.

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39. "Ordering the Relative Power of Electrophilic Fluorinating, Trifluoromethylating, and Trifluoromethylthiolating Reagents: A Summary of Recent Efforts."

Man Li, Hanliang Zheng, Xiao-Song Xue*, Jin-Pei Cheng, Tetrahedron Lett. 2018, 59, 1278-1285.

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38. "Rhodium-Catalyzed 2-Arylphenol-Derived Six-Membered Silacyclization: Straightforward Access toward Dibenzooxasilines and Silicon-Containing Planar Chiral Metallocenes."

Wen-Tao Zhao, Zhuo-Qun Lu, Hanliang Zheng, Xiao-Song Xue, Dongbing Zhao*. ACS Catal.,2018, 89, 7997-8005.

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Di Wang, Xiao‐Song Xue, K. N. Houk*, Zhuangzhi Shi*, Angew. Chem. Int. Ed. 2018, 57, 16861-16865

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2017

36. "Mechanism and Origins of Stereoinduction in Natural Cinchona Alkaloid Catalyzed Asymmetric Electrophilic Trifluoromethylthiolation of β-Ketoesters with N-Trifluoromethylthiophthalimide as Electrophilic SCF3 Source."

Man Li, Xiao-Song Xue*, Jin-Pei Cheng, ACS Catal. 2017, 7, 7977-7986.

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Man Li, Biying Zhou, Xiao-Song Xue*, Jin-Pei Cheng, J. Org. Chem. 2017, 82, 8697-8702.

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Xiao-Song Xue, Pengju Ji, Biying Zhou, Jin-Pei Cheng*, Chem. Rev. 2017, 117, 8622-8648.

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33. "Hypervalent-Iodine-Mediated Formation of Epoxides from Carbon(sp2)–Carbon(sp3) Single Bonds."

Shan Jiang, Tai-Shan Yan, Yong-Chao Han, Li-Qian Cui, Xiao-Song Xue,* Chi Zhang,* J. Org. Chem. 2017, 82, 11691-11702.

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32. "N-tert-Butyl Sulfinyl Squaramide Receptors for Anion Recognition through Assisted tert-Butyl C-H Hydrogen Bonding."

Yao Li, Guo-Hui Yang, Ye-Ye Shen, Xiao-Song Xue, Xin Li*, Jin-Pei Cheng, J. Org. Chem. 2017, 82, 8662-8667.

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31. "Design and Applications of N-tert-Butyl Sulfinyl Squaramide Catalysts."

Yao Li, Qixin Cyndi He, Fei-Xiang Gao, Zhen Li, Xiao-Song Xue, Xin Li*, K. N. Houk*, Jin-Pei Cheng, Org. Lett. 2017, 19, 1926-1929.

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30. "A Systematic Evaluation of the N-F Bond Strength of Electrophilic N-F Reagents: Hints for Atomic Fluorine Donating Ability."

Jin-Dong Yang, Ya Wang, Xiao-Song Xue*, Jin-Pei Cheng*, J. Org. Chem. 2017, 82, 4129-4135.

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29. "Sulfimine-Promoted Fast O Transfer: One–step Synthesis of Sulfoximine from Sulfide."

Yongtao Xie, Biying Zhou#, Sha Zhou#, Shaa Zhou, Wei Wei, Jingbo Liu, Yizhou Zhan, Dandan Cheng, Minggui Chen, Yuxin Li, Baolei Wang, Xiao-Song Xue, Zhengming Li*, ChemistrySelect 2017, 2, 1620-1624.

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28. "A Systematic Assessment of Trifluoromethyl Radical Donor Abilities of Electrophilic Trifluoromethylating Reagents"

Man Li, Ya Wang, Xiao-Song Xue*, Jin-Pei Cheng, Asian J. Org. Chem. 2017, 6, 235-240.

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27. "Theoretical study of Lewis acid activation models for hypervalent fluoroiodane reagent: The generality of “F-coordination” activation model."

Biying Zhou, Xiao-Song, Xue*, Jin-Pei Cheng. Tetrahedron Lett. 2017, 58, 1287-1291.

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26. "Origin of Stereoselectivity of the Photoinduced Asymmetric Phase Transfer-Catalyzed Perfluoroalkylation of beta-Ketoesters"

Chen Yang, Wei Zhang, Yi-He Li, Xiao-Song Xue, Xin Li*, Jin-Pei Cheng, J. Org. Chem. 2017, 82, 9321-9327.

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2016

25. "Mechanism of Silver-Mediated Geminal Difluorination of Styrenes with a Fluoroiodane Reagent: Insights into Lewis-Acid-Activation Model"

Biying Zhou, Taishan Yan, Xiao-Song Xue*, Jin-Pei Cheng, Org. Lett. 2016, 18, 6128-613.

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24. "Mechanism and Origin of the Unexpected Chemoselectivity in Fluorocyclization of o-Styryl Benzamides with a Hypervalent Fluoroiodane Reagent"

Taishan Yan, Biying Zhou, Xiao-Song Xue*, Jin-Pei Cheng, J. Org. Chem. 2016, 81, 19, 9006–9011.

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23. "N-Trifluoromethylthio-dibenzenesulfonimide: A Shelf-Stable, Broadly Applicable Electrophilic Trifluoromethylthiolating Reagent"

Panpan Zhang, Man Li, Xiao-Song Xue*, Chunfa Xu, Qunchao Zhao, Yafei Liu, Haoyang Wang, Yinlong Guo, Long Lu*, Qilong Shen*, J. Org. Chem. 2016, 81, 17, 7486–7509.

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22. "Comprehensive Energetic Scale for Quantitatively Estimating the Fluorinating Potential of N–F Reagents in Electrophilic Fluorinations"

Xiao-Song Xue*, Ya Wang, Man Li, Jin-Pei Cheng*, J. Org. Chem. 2016, 81, 10, 4280–4289.

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21. "An Energetic Guide for Estimating Trifluoromethyl Cation Donor Abilities of Electrophilic Trifluoromethylating Reagents: Computations of X–CF3 Bond Heterolytic Dissociation Enthalpies"

Man Li, Xiao-Song Xue*, Jinping Guo, Ya Wang, and Jin-Pei Cheng*, J. Org. Chem. 2016, 81, 8, 3119–3126.

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20. "Quantitative Scale for the Trifluoromethylthio Cation-Donating Ability of Electrophilic Trifluoromethylthiolating Reagents"

Man Li, Jinping Guo, Xiao-Song Xue*, Jin-Pei Cheng*, Org. Lett. 2016, 18, 2, 264-267.

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19. "Phosphoric Acid Catalyzed Asymmetric 1,6-Conjugate Addition of Thioacetic Acid to para-Quinone Methides"

Nan Dong, Zhi-Pei Zhang, Xiao-Song Xue, Xin Li*, Jin-Pei Cheng, Angew. Chem. Int. Ed. 2016, 55, 1460-1464.

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2015

18. "Toward Prediction of the Chemistry in Ionic Liquids: An Accurate Computation of Absolute pKa Values of Benzoic Acids and Benzenethiols"

Xiao-Song Xue*, Ya Wang, Chen Yang, Pengju Ji, and Jin-Pei Cheng*, J. Org. Chem. 2015, 80, 18, 8997-9006.

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17. "A Highly Efficient Chirality Switchable Synthesis of Dihydropyran-Fused Benzofurans by Fine-Tuning the Phenolic Proton of β-Isocupreidine (β-ICD) Catalyst with Methyl"

Feng Wang, Chen Yang, Xiao-Song Xue, Xin Li*, Jin-Pei Cheng*, Chem. Eur. J. 2015, 21, 10443-10449.

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2014

16. "Computational Study on the Acidic Constants of Chiral Brønsted Acids in Dimethyl Sulfoxide"

Chen Yang, Xiao-Song Xue, Xin Li*, Jin-Pei Cheng*, J. Org. Chem. 2014, 79, 10, 4340-4351.

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15. "Computation of standard equilibrium acidity of C–H acids in ionic media: shedding light on predicting changes of chemical behavior by switching solvent system from molecular to ionic"

Xiao-Song Xue, Chen Yang, Xin Li, Jin-Pei Cheng*, Org. Chem. Front. 2014, 1, 176-180.

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14. "Computational Study on the pKa Shifts in Proline Induced by Hydrogen-Bond-Donating Cocatalysts"

Xiao-Song Xue, Chen Yang, Xin Li*, and Jin-Pei Cheng*, J. Org. Chem. 2014, 79, 3, 1166-1173.

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2013 -

13. "Theoretical Study on the Acidities of Chiral Phosphoric Acids in Dimethyl Sulfoxide: Hints for Organocatalysis"

Chen Yang, Xiao-Song Xue, Jia-Lu Jin, Xin Li*, Jin-Pei Cheng*, J. Org. Chem. 2013, 78, 14, 7076-7085.

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12. "Mechanism and Selectivity of Bioinspired Cinchona Alkaloid Derivatives Catalyzed Asymmetric Olefin Isomerization: A Computational Study"

Xiao-Song Xue, Xin Li, Ao Yu*, Chen Yang, Chan Song, Jin-Pei Cheng*, J. Am. Chem. Soc. 2013, 135, 20, 7462-7473.

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11. "Synthesis of Optically Enriched Spirocyclic Benzofuran-2-ones by Bifunctional Thiourea-Base Catalyzed Double-Michael Addition of Benzofuran-2-ones to Dienones"

Xin Li*, Chen Yang, Jia-Lu Jin, Xiao-Song Xue, Jin-Pei Cheng*, Chem. Asian J. 2013, 8, 997-1003.

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10. "Enantioselective Organocatalyzed Sulfenylation of 3-Substituted Oxindoles"

Xin Li*, Cong Liu, Xiao-Song Xue, Jin-Pei Cheng*, Org. Lett. 2012, 14, 17, 4374-4377.

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9. "Asymmetric Michael Addition Reactions between 3-SubstitutedBenzofuran-2(3H)-ones and 1,1-Bis(phenylsulfonyl)ethylene Catalyzed byBifunctional Catalysts Containing Tertiary Amine and Thiourea Groups"

Xin Li*, Yue-Yan Zhang, Xiao-Song Xue, Jia-Lu Jin, Bo-Xuan Tan, Cong Liu, Nan Dong, Jin-Pei Cheng*, Eur. J. Org. Chem. 2012, 1774–1782.

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8. "Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea"

Xin Li*, Xiao-Song Xue, Cong Liu, Bin Wang, Bo-Xuan Tan, Jia-Lu Jin, Yue-Yan Zhang, Nan Dong, Jin-Pei Cheng*, Org. Biomol. Chem. 2012, 10, 413-420.

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7. "The effects of insertion of nitrogen atoms on the aromatic nitrogen-containing compounds: a potential approach for designing stable radical molecular materials"

Ao Yu*, Xiaosong Xue, Jian Wang, Huikai Wang, Yongjian Wang*, J. Phys. Org. Chem. 2012, 2592-100.

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Yanhui Hou*, Huikai Wang, Zhi Li, Yongsheng Liu, Xiangjian Wan, Xiaosong Xue, Yongsheng Chen*, Ao Yu*, Tetrahedron Letters 2011, 52, 3670-3673.

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5. "A Computational Reinvestigation of the Formation of N-Alkylpyrroles via Intermolecular Redox Amination"

Xiaosong Xue, Ao Yu*, Yu Cai, Jin-Pei Cheng, Org. Lett. 2011, 13, 22, 6054-6057.

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4. "The rearrangement of 2-(1,6-methano[10]annulenyl)-3,3-dimethylmethylenecyclopropane: A computational study"

Ao Yu*, Xiaosong Xue, Jian Wang, Yongjian Wang*, Journal of Molecular Structure: THEOCHEM 2010, 950, 1-4.

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3. "Selective Tuning of the HOMO–LUMO Gap of Carbazole-Based Donor–Acceptor–Donor Compounds toward Different Emission Colors"

Huaqiang Zhang , Xiangjian Wan*, Xiaosong Xue, Yanqin Li, Ao Yu, Yongsheng Chen*, Eur. J. Org. Chem. 2010, 1681-1687.

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2. "Theoretical Study of the Peripheral Disulfide Bridge Substituent Effects on the Antioxidant Properties of Naphthyridine Diol Derivatives"

Ao Yu*, Jian Wang, Xiaosong Xue, Yongjian Wang*, J. Phys. Chem. A 2010, 114, 2, 1008-1016.

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1. "2,5,8-Tri-tert-butyl-1,3,4,6,7,9-hexaazaphenalene: Synthesis, Crystal Structure and Calculation of Homolytic N–H Bond Dissociation Enthalpies"

Yuqin Jiang, Huaqiang Zhanga , Xiangjian Wan , Xiaosong Xue , Yuanhai Liu, Haibin Song, Ao Yu, Yongsheng Chena*, Z. Naturforsch. 2008, 63b, 1425-1430.

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