研究员

物理有机化学

计算有机化学

有机氟化学

机器学习在化学中的应用

2013年博士毕业于南开大学，师从程津培院士，并于同年留校任教

2016年晋升为副教授

2018年入选“南开大学百名青年学术带头人”计划

2017年9月-2020年8月，UCLA访问学者，师从Houk院士

2021年8月加入中国科学院上海有机化学研究所有机氟化学重点实验室

[1]       “The Acidities of Nucleophilic Monofluoromethylation Reagents: An Anomalous α‐Fluorine Effect.” Hanliang Zheng, Zhen Li, Jianfang Jing, Xiao-Song Xue*, Jin-Pei Cheng. Angew. Chem. Int. Ed., 2021, 60, 9401-9406.

[2]       “Highly γ‐Selective Arylation and Carbonylative Arylation of 3‐Bromo‐3,3‐difluoropropene via Nickel Catalysis.” Ran Cheng, Yueqian Sang, Xing Gao, Shu Zhang, Xiao-Song Xue*, Xingang Zhang.* Angew. Chem. Int. Ed., 2021, doi.org/10.1002/anie.202015921 .

[3]       “Cooperative Stapling of Native Peptides at Lysine and Tyrosine or Arginine with Formaldehyde” Bo Li, Hong Tang, Aneta Turlik, Zhao Wan, Xiao-Song Xue, Li Li, Xiaoxiao Yang, Jiuyuan Li, Gang He, K. N. Houk*, Gong Chen*. Angew. Chem. Int. Ed., 2021, doi.org/10.1002/anie.202016267.

[4]       “[8+ 2] vs [4+ 2] Cycloadditions of Cyclohexadienamines to Tropone and Heptafulvenes—Mechanisms and Selectivities.” Xiangyang Chen, Mathias Kirk Thøgersen, Limin Yang, Rune F. Lauridsen, Xiao-Song Xue, Karl Anker Jørgensen*, and K. N. Houk*J. Am. Chem. Soc. 2021, 143, 934–944.

[5]       “Establishing for Cation and Radical Donor Ability Scales of Electrophilic F, CF3, and SCF3 transfer reagents.” Man Li, Xiao-Song Xue*, Jin-Pei Cheng. Acc. Chem. Res., 2020, 53, 182−197. (Invited review)

[6]       “Radical-Mediated CC Cleavage of Unstrained Cycloketones and DFT Study for Unusual Regioselectivity.” Mingyang Wang, Man Li, Shan Yang, Xiao-Song Xue*, Xinxin Wu , Chen Zhu*. Nat. Commun., 2020, 11, 672-678.

[7]       “Quantification of the Activation Capabilities of Lewis/Brønsted Acid for Electrophilic Trifluoromethylthiolating Reagents.” Huiying Kang, Biying Zhou, Li Man, Xiao-Song Xue*, Jin-Pei Cheng. Chin. J. Chem., 2020, 38, 130-134. (Invited contribution)

[8]       “Recent Computational Studies on Mechanisms of Hypervalent Iodine(III)-Promoted Dearomatization of Phenols.” Hanliang Zheng, Xiao-Song Xue*. Curr. Org. Chem., 2020, 4, 1. (Invited contribution)

[9]       “Potassium Acetate-Catalyzed Double Decarboxylative Transannulation To Access Highly Functionalized Pyrroles.” Jun-Kuan Li, Biying Zhou, Yu-Chen Tian, Chunman Jia, Xiao-Song Xue, Fa-Guang Zhang*, and Jun-An Ma*. Org. Lett., 2020, 22, 9585–9590.

[10]    “Biomimetic Total Synthesis of (±)-Carbocyclinone-534 Reveals Its Biosynthetic Pathway.” Chunlei Qu, Xianwen Long, Yueqian Sang, Min Zhang, Xiaoli Zhao, Xiao-Song Xue*, and Jun Deng*. Org. Lett., 2020, 22, 9421-9426.

[11]    “Internal Alkyne-Directed Fluorination of Unactivated C(sp3)–H Bonds.” Chenyun Shu, Jian Feng, Hanliang Zheng, Cungui Cheng, Zheliang Yuan, Zuxiao Zhang, Xiao-Song Xue, and Gangguo Zhu*. Org. Lett., 2020, 22, 9398-9403.

[12]    “Polarity Umpolung Strategy for the Radical Alkylation of Alkenes.” Jige Liu, Shuo Wu, Jiajia Yu, Chenxi Lu, Zhen Wu, Xinxin Wu, Xiao-Song Xue, Chen Zhu*. Angew. Chem. Int. Ed., 2020, 59, 8195 -8202.

[13]    “Comprehensive Basicity Scales for N‐Heterocyclic Carbenes in DMSO: Implications on the Stabilities of N‐Heterocyclic Carbene and CO2 Adducts.” Zhen Wang*, Xiao-Song Xue, Yanhua Fu, Pengju Ji*. Chem. Asian J., 2020, 15,169-181.

[14]    “Catalytic Direct Construction of Cyano-tetrazoles.” Ming-Yang Xiao, Meng-Meng Zheng, Xing Peng, Xiao-Song Xue, Fa-Guang Zhang*, and Jun-An Ma*. Org. Lett., 2020, 22, 7762–7767.

[15]    “Mechanism and Origins of Enantioselectivities in Spirobiindane-based Hypervalent Iodine(III) Induced Asymmetric Dearomatizing Spirolactonizations.” Hanliang Zheng, Yueqian Sang, K. N. Houk*, Xiao-Song Xue*, Jin-Pei Cheng. J. Am. Chem. Soc., 2019, 141, 16046-16056.

[16]    “Nickel-catalyzed intermolecular oxidative Heck arylation driven by transfer hydrogenation.” Honggui Lv, Huiying Kang, Biying Zhou, Xiao-Song Xue,* Keary Engle,* and Dongbing Zhao.* Nat Commun., 2019, 10, 5025.

[17]    “Controllable Catalytic Difluorocarbene Transfer Enables Access to Diversified Fluoroalkylated Arenes.” Xia-Ping Fu# Xiao-Song Xue#, Xue-Ying Zhang, Yu-Lan Xiao, Shu Zhang, Yin-Long Guo, Xuebing Leng, K. N. Houk*, Xingang Zhang.* Nat. Chem., 2019, 11, 948–956. (# equally contribution)

[18]    “Metal-free Directed C-H Bond Activation and Borylation.” 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.

[19]    “Ambimodal Trispericyclic Transition State and Dynamic Control of Periselectivity.”,Xiao-Song Xue#, Cooper S. Jamieson#, Marc Garcia-Borràs#, Xiaofei Dong#, Zhongyue Yang, K. N. Houk. J. Am. Chem. Soc., 2019, 141, 1217-1221. ( equally contribution)

[20]    “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.

[21]    “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.

[22]    “Mechanisms and Dynamics of Reactions Involving Entropic Intermediates.” Zhongyue Yang, Cooper S. Jamieson, Xiao-Song Xue, Marc Garcia-Borràs, Tyler Benton, Xiaofei Dong, Fang Liu, K. N. Houk. Trends in Chemistry, 2019. 1, 22-34.

[23]    “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,* and Roald Hoffmann*. Acc. Chem. Res., 2019, 52, 3488−3501.

[24]    “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.

[25]    “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.

[26]    “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.

[27]    “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.

[28]    “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.

[29]    “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. (Invited contribution)

[30]    “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, Houk, K. N.,* Xiao-Song Xue*. J. Am. Chem. Soc. 2018, 140, 15206-15218.

[31]    “Exploration of the Synthetic Potential of Electrophilic Trifluoromethylthiolating and Difluoromethylthiolating Reagents.” Jingjing Zhang; Yang Jin-Dong; Hanliang Zheng; Xue, Xiao-Song;* Herbert Mayr;* Jin-Pei Cheng. Angew. Chem. Int. Ed. 2018, 57, 12690-12695.

[32]    “Origins of Selectivities in the Stork Diels–Alder Cycloaddition for the Synthesis of (±)-4-Methylenegermine.” Xiao-Song Xue, Levandowski, Brian J., Cyndi Qixin He, Houk, K. N.*. Org. Lett., 2018. 20, 6108-6111.

[33]    “Recent Advances and Advisable Applications of Bond Energetics in Organic Chemistry.” Yang Jin-Dong, Ji Pengju, Xue Xiao-Song, Jin-Pei Cheng* J. Am. Chem. Soc., 2018, 140, 8611−8623.

[34]    “Mild Ring-Opening 1,3-Hydroborations of Non-Activated Cyclopropanes.” Di Wang, Xiao-Song Xue, Kendall N. Houk,* and Zhuangzhi Shi.* Angew. Chem. Int. Ed., 2018, 57, 16861-16865.

[35]    “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.

[36]    “Origin of Stereocontrol in Photoredox Organocatalysis of Asymmetric α-Functionalizations of Aldehydes.” Li Man; Yueqian Sang; Xue, Xiao-Song;* Cheng, Jin-Pei. J. Org. Chem. 2018. 83, 3333-3338.

[37]    “A Systematic Theoretical Study on the Acidities for Cations of Ionic Liquids in Dimethyl Sulfoxide.” Wang Zhen; Zheng Yongjun; Zheng Yong; Xue, Xiao-Song;* Ji Pengju *. J. Phys. Chem. A, 2018, 122, 5750-5755.

[38]     “Acidity Scale of N-Heterocyclic Carbene Precursors: Can We Predict the Stability of NHC–CO2 Adducts?” Zhen Wang, Fang Wang, Xiao-Song Xue,* Pengju Ji,* Org. Lett., 2018. 20, 6041-6045.

[39]    “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.

[40]    “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.

[41]    “Computational Study of the Trifluoromethyl Radical Donor Abilities of CF3 Sources”, Man, Li; Huiying, Kang; Xiao-Song Xue*; Jin-Pei, Cheng. Acta Chim. Sinica 2018, 76, 988-996. (Invited contribution)

[42]    “Ordering the Relative Power of Electrophilic Fluorinating, Trifluoromethylating, and Trifluoromethylthiolating Reagents: A Summary of Recent Efforts.” Li, Man; Zheng, Hanliang; Xue, Xiao-Song;* Cheng, Jin-Pei. Tetrahedron Lett., 2018, 59, 1278-1285. (Invited review)

[43]    “Mechanism and Origins of Stereoinduction in Natural Cinchona Alkaloid Catalyzed Asymmetric Electrophilic Trifluoromethylthiolation of β-Ketoesters with N-Trifluoromethylthiophthalimide as Electrophilic SCF3 Source.” Li, Man; Xue, Xiao-Song;* Cheng, Jin-Pei. ACS Catal., 2017, 7, 7977-7986.

[44]    “Establishing the Trifluoromethylthio Radical Donating Abilities of Electrophilic SCF3-Transfer Reagents.” Li, Man; Zhou, Biying; Xue, Xiao-Song;* Cheng, Jin-Pei. J. Org. Chem., 2017, 82, 8697-8702.

[45]    “The Essential Role of Bond Energetics in C–H Activation/Functionalization.” Xue, Xiao-Song; Ji, Pengju; Zhou, Biying; Cheng, Jin-Pei*. Chem. Rev., 2017, 117, 8622-8648. (# equally contribution)

[46]    “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.

[47]    “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.

[48]    “Design and Applications of N-tert-Butyl Sulfinyl Squaramide Catalysts.” Li, Yao; He, Qixin Cyndi; Gao, Fei-Xiang; Li, Zhen; Xue, Xiao-Song; Li, Xin;* Houk, K. N.;* Cheng, Jin-Pei. Org. Lett., 2017, 19, 1926-1929.

[49]    “A Systematic Evaluation of the N-F Bond Strength of Electrophilic N-F Reagents: Hints for Atomic Fluorine Donating Ability.” Yang, Jin-Dong; Wang, Ya; Xue, Xiao-Song;* Cheng, Jin-Pei*. J. Org. Chem., 2017, 82, 4129-4135.

[50]    “Sulfimine-Promoted Fast O Transfer: One–step Synthesis of Sulfoximine from Sulfide.”Xie, Yongtao; Zhou, Biying; Zhou, Sha; Zhou, Shaa; Wei, Wei; Liu, Jingbo; Zhan, Yizhou; Cheng, Dandan; Chen, Minggui; Li, Yuxin; Wang, Baolei; Xue, Xiao-Song; Li, Zhengming. ChemistrySelect, 2017, 2, 1620-1624.

[51]    “A Systematic Assessment of Trifluoromethyl Radical Donor Abilities of Electrophilic Trifluoromethylating Reagents.” Li, Man.; Wang, Ya; Xue, Xiao-Song;* Cheng, Jin-Pei. Asian J. Org. Chem., 2017. 6, 235-240.

[52]    “Theoretical study of Lewis acid activation models for hypervalent fluoroiodane reagent: The generality of “F-coordination” activation model.” Zhou, Biying; Xue, Xiao-Song;* Cheng, Jin-Pei. Tetrahedron Lett., 2017, 58,1287-1291.

[53]    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.

[54]    “Mechanism of Silver-Mediated Geminal Difluorination of Styrenes with a Fluoroiodane Reagent: Insights into Lewis-Acid-Activation Model.” Zhou, Biying; Yan, Taishan.; Xue, Xiao-Song;* Cheng, Jin-Pei. Org. Lett., 2016, 18, 6128-6131.

[55]    “Phosphoric Acid Catalyzed Asymmetric 1,6-Conjugate Addition of Thioacetic Acid to para-Quinone Methides.” Dong, Nan; Zhang, Zhi. Pei; Xue, Xiao-Song; Li, Xin*; Cheng, Jin-Pei. Angew. Chem. Int. Ed., 2016, 55, 1460-1464.

[56]    “Mechanism and Origin of Unexpected Chemoselectivity in Fluorocyclization of o-Styryl benzamides with a Hypervalent Fluoroiodane Reagent.” Yan, Taishan.; Zhou, Biying; Xue, Xiao-Song;* Cheng, Jin-Pei*. J. Org. Chem., 2016, 81, 9006-9011.

[57]    “Quantitative Scale for the Trifluoromethylthio Cation-Donating Ability of Electrophilic Trifluoromethylthiolating Reagents.” Li, Man.; Guo, Jinping; Xue, Xiao-Song; * Cheng, Jin-Pei*. Org. Lett., 2016, 18, 264-267.

[58]    “An Energetic Guide for Estimating Trifluoromethyl Cation Donor Abilities of Electrophilic Trifluoromethylating Reagents: Computations of X–CF3 Bond Heterolytic Dissociation Enthalpies.” Li, Man.; Xue, Xiao-Song;* Guo, Jinping; Wang, Ya; Cheng, Jin-Pei*. J. Org. Chem., 2016, 81, 3119-3126.

[59]    “Comprehensive Energetic Scale for Quantitatively Estimating the Fluorinating Potential of N–F Reagents in Electrophilic Fluorinations.” Xue, Xiao-Song; * Wang, Ya; Man, Li; Cheng, Jin-Pei*. J. Org. Chem., 2016, 81, 4280-4289.

[60]    “N-Trifluoromethylthiodibenzenesulfonimide: A Shelf-Stable, Broadly Applicable Electrophilic Trifluoromethylthiolating Reagent.” Zhang, Panpan; Li , Man; Xue, Xiao-Song; * Xu, Chunfa; Zhao, Qunchao; Liu, Yafei; Wang, HaoYang; Guo, Yinlong; Lu, Long;* Shen, Qilong.* J. Org. Chem., 2016, 81, 7486-7509.

[61]    “Toward Prediction of the Chemistry in Ionic Liquids: An Accurate Computation of Absolute pKa Values of Benzoic Acids and Benzenethiols.” Xue, Xiao-Song; * Wang, Ya; Chen, Yang; Ji, Pengju, Cheng, Jin-Pei*. J. Org. Chem., 2015, 80, 8997-9006.

[62]    “A Highly Efficient Chirality Switchable Synthesis of Dihydropyran-Fused Benzofurans by Fine-Tuning the Phenolic Proton of β-Isocupreidine (β-ICD) Catalyst with Methyl.” Wang, Feng; Yang, Chen.; Xue, Xiao-Song; Li, Xin; * Cheng, Jin-Pei *. Chem. Eur. J., 2015, 21, 10443-10449.

[63]    “A Computational Study on the pKa Shifts of Proline Induced by Hydrogen-bond Donating Co-catalysts.” Xue, Xiao-Song; Chen, Yang; Li, Xin;* Cheng, Jin-Pei*. J. Org. Chem., 2014, 79, 1166-1173.

[64]    “Computational Study on the Acidic Constants of Chiral Brønsted Acids in Dimethyl Sulfoxide” Chen, Yang; Xue, Xiao-Song; Li, Xin;* Cheng, Jin-Pei*. J. Org. Chem., 2014, 79, 4340-4351.

[65]    “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.”Xue, Xiao-Song; Chen, Yang; Li, Xin; Cheng, Jin-Pei*. Org. Chem. Front., 2014, 1, 176-180.

[66]    “Mechanism and Selectivity of Bio-inspired Novel Cinchona Alkaloid Derivatives Catalyzed Asymmetric Olefin Isomerization: A Computational Study.” Xue, Xiao-Song; Li, Xin; Yu, Ao;* Chen, Yang; Song, Chan; Cheng, Jin-Pei*. J. Am. Chem. Soc., 2013, 135, 7462-7473.

[67]    “Theoretical Study on the Acidities of Chiral Phosphoric Acids in Dimethyl Sulfoxide: Hints for Organocatalysis.” Yang, Chen; Xue, Xiao-Song; Jin, Jialu; Li, Xin*; Cheng, Jin-Pei*. J. Org. Chem., 2013, 78, 7076-7085.

[68]    “Synthesis of Optically Enriched Spirocyclic Benzofuran-2-ones via Bifunctional Thiourea Catalyzed Double-Michael Addition of Benzofuran-2-ones to Dienones.” Li, Xin*; Yang, Chen; Jin, Jialu; Xue, Xiao-Song; Cheng, Jin-Pei*. Chem. Asian J., 2013, 8, 4-6.

[69]    “Enantioselective Organocatalyzed Sulfenylation of 3-Substituted Oxindoles.” Li, X;* Liu. Cong; Xue, Xiao-Song; Cheng, Jin-Pei*. Org. Lett., 2012, 4374-4377.

[70]    “Asymmetric Michael Addition Reactions of 3-Substituted Benzofuran-2(3H)-ones to Nitroolefins Catalyzed by a Bifunctional Tertiary-amine thiourea.” Li, Xin;* Xue, Xiao-Song; Liu, Cong; Wang, Bin; Tan, Boxuan; Jin, Jialu; Zhang, Yueyan; Dong, Nan; Cheng, Jin-Pei*. Org. Biomol. Chem., 2012, 10, 413-420.

[71]    “The Effects of Insertion of Nitrogen Atoms on the Aromatic Nitrogen-Containing Compounds: a Potential Approach for Designing Stable Radical Molecular Materials.” Yu, Ao*; Xue, Xiao-Song; Wang, Jian.; Wang, Huikai.; Wang, Yongjian, J. Phys. Org. Chem., 2012, 25, 92-100.

[72]    “Asymmetric Michael Addition Reactions between 3-Substituted Benzofuran-2(3H)-ones and 1,1-Bis(phenylsulfonyl)ethylene Catalyzed by Bifunctional Catalysts Containing Tertiary Amine and Thiourea Groups.” Li, Xin*; Zhang, Yueyan; Xue, Xiao-Song; Jin, Jialu; Tan, Boxuan; Liu, Cong; Dong, Nan; Cheng, Jin-Pei*. Eur. J. Org. Chem., 2012, 1774-1782.

[73]    “Theoretical Study on the Thermodynamic Hydricity of Imidazole-based Organic Hydrides in Acetonitrile.” Yu, Ao;* Wang, Huikai; Xue, Xiao-Song; Cai, Yu.; Wang, Yongjian; He, Jiaqi. Chem. J. Chinese. U., 2012, 33, 276-281.

[74]    “A Computational Reinvestigation of the Formation of N-Alkylpyrroles via Intermolecular Redox Amination.” Xue, Xiao-Song; Yu, Ao;* Cai, Yu; Cheng, Jin-Pei. Org. Lett., 2011, 13, 6054-6057.

[75]    “Organic Radicals Based on Phenalenyl and Verdazyl Units.” Hou, Yanhui;* Wang, Huikai; Li, Zhi; Liu, Yongshen; Wan, Xianjian; Xue, Xiao-Song; Chen, Yongsheng; Yu, Ao. Tetrahedron Lett., 2011, 52, 3670-3673.

[76]    “The Rearrangement of 2-(1,6-Methano 10 annulenyl)-3,3-dimethylmethylenecyclopropane: A Computational Study.” Yu, Ao;* Xue, Xiao-Song; Wang, Jinjian; Wang, Yongjian*. Theochem-J. Mol. Struct., 2010, 950, 1-4.

[77]    “Theoretical Study of the Peripheral Disulfide Bridge Substituent Effects on the Antioxidant Properties of Naphthyridine Diol Derivatives.” Yu, Ao;* Wang, Jian; Xue, Xiao-Song; Wang, Yongjian*. J. Phys. Chem. A, 2010, 114, 1008-1016.

[78]    “Selective Tuning of the HOMO-LUMO Gap of Carbazole-Based Donor-Acceptor-Donor Compounds toward Different Emission Colors.” Zhang, Huaqiang; Wan, Xianjian; Xue, Xiao-Song; Li, Yanqin; Yu, Ao; Chen, Yongsheng*. Eur. J. Org. Chem., 2010, 1681-1687.