110. Xiaomin Hu, Yutian Yu, Siyu Chen, Ming Lei, Min Pu, Zuoyin Yang* (2020) “Hydrogen Bond Cooperative Effect in Single Cage Water Clusters.” Chin. J. Struct. Chem., 39(7): 1213-1225  Link

109. Ruiqin Ding‡, Jinjiang Xu‡, Yuting Tao, Jie Sun*, Ming Lei* (2020) “Experimental and Theoretical Study on the Stability of CL-20 Based Host-Guest Energetic Materials.” J. Phys. Chem. A, 124(31): 6389–6398 (‡ Co-first author) Link

108. Wenfang Xiong‡, Fuxing Shi‡, Ruixiang Cheng, Baiyao Zhu, Lu Wang, Pengquan Chen, Hongming Lou, Wanqing Wu, Chaorong Qi*, Ming Lei*, Huanfeng Jiang* (2020) “Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide.” ACS Catal., 10(14): 7968–7978 (‡ Co-first author) Link

107. Yangqiu Liu, Xin Yue, Longfei Li, Zhewei Li, Lin Zhang, Min Pu, Zuoyin Yang, Chao Wang, Jianliang Xiao*, Ming Lei* (2020) “Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation.” Inorg. Chem., 59(12): 8404–8411 Link

106. Wei Zhang, Min Pu, Ming Lei* (2020) “Theoretical Studies on Stability and Reactivity of Metals Doped CeO2(100) surface: Towards H2 Dissociation and Oxygen Vacancy Formation.” Langmuir, 36(21): 5891–5901 Link

105. Kun Wang, Lin Zhang, Weijun Tang, Huaming Sun, Dong Xue, Ming Lei, Jianliang Xiao, Chao Wang* (2020) “Asymmetric Guerbet Reaction to Access Chiral Alcohols.” Angew. Chem. Int. Ed., 59(28): 11408-11415 Link RelatedNews(Chinese)

104. Zhewei Li, Qianyue Wang, Min Pu*, Zuoyin Yang, Ming Lei* (2020) “Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation.” Acta Chim. Sinica, 78(5):437-443 (李哲伟, 王骞阅, 蒲敏*, 杨作银, 雷鸣* (2020) “含氮杂环协助的醛胺缩合反应机理的研究” 化学学报 78(5):437-443) Link

103. Ming Lei*, Zuoyin Yang, Yaping Li, Min Pu (2020) “Online Teaching of Structural Chemistry Course Based on “1 + 2” Platform.” Univ. Chem., 35(5):98-103 (雷鸣*, 杨作银, 李亚平, 蒲敏 (2020) “基于“1 + 2”模式的结构化学课程在线教学实践” 大学化学 35(5):98-103) Link

102. Xiaomin Hu, Yutian Yu, Siyu Chen, Ming Lei, Min Pu, Zuoyin Yang* (2020) “Relationship between types of central water molecule pairs in single cage water cluster.” J. Mol. Sci., 36(171):30-34 (胡晓敏, 余雨田, 陈思宇, 雷鸣, 蒲敏, 杨作银* (2020) “单笼形水分子簇中心水分子对类型关系” 分子科学学报 36(171):30-34) Link

101. Chenguang Luo, Longfei Li, Xin Yue, Pengjie Li, Lin Zhang, Zuoyin Yang, Min Pu, Zexing Cao*, Ming Lei* (2020) “pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(h6-arene)RuCl(k2-N,N-dmobpy)]+ complex: a DFT mechanistic understanding.” RSC Adv., 10:10411–10419  Link

100. Chenguang Luo, Lin Lu, Lin Zhang, Zuoyin Yang, Min Pu, Biaolin Yin,* Ming Lei*(2020) “Transition-Metal-Free Polycyclic Indoles Formation via A Free Radical Pathway: A Computational Mechanistic Study.” Thero. Chem. Acc., 43 Link

99. Ju Wang,* Wei Zhang, Wenyou Zhu, Wenchang Zhuang, Ming Lei (2020) “Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation.” Mol. Catal., 482:110670 Link

98. Ruiqin Ding, Yuting Tao, Jinjiang Xu, Jie Sun,* Ming Lei* (2020) “Review on Crystal Structure and Properties of Energetic Compound CL-20 and Its Cocrystals .” J. WuHan Univ. (Natural Sci. Ed.), 1:23-31 (丁瑞琴, 陶玉婷, 徐金江, 孙杰,* 雷鸣*  (2020) “含能化合物C L-20及其共晶的结构及性能研究进展”  武汉大学学报(理学版)  1:23-31) Link

97. Zheliang Cao, Wei Zhang, Ruiqin Ding, Ju Wang, Min Pu, Zuoyin Yang, Ming Lei* (2020) “The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study.” J. Phys. Org. Chem., 33(1):e4017 Link

96. Yangqiu Liu, Xin Yue, Chenguang Luo, Lin Zhang, Ming Lei* (2019) “Mechanisms of Ketone/Imine Hydrogenation Catalyzed by Transition-Metal Complexes.” Energy Environ. Mater., 2(4):292-312 Link

95. Lin Zhang, Wei Zhang, Xin Yue, Pengjie Li, Zuoyin Yang, Min Pu, Ming Lei* (2019 ) “Theoretical Study on Mechanism of CO2 Hydrogenation to Formic Acid Catalyzed by Manganese Complex.” Chem. J. Chinese Univ., 40(9):1911-1917. Link

94. Qianyue Wang, Longfei Li, Pengjie Li, Xin Yue, Zuoyin Yang, Min Pu, Ming Lei* (2019) “Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study.” New J. Chem., 43:11493-11496 Link

93. Xin Yue, Longfei Li, Pengjie Li, Chenguang Luo, Min Pu, Zuoyin Yang, Ming Lei* (2019) “A Computational Study on Iridium‐Catalyzed Production of Acetic Acid from Ethanol and Water Solution.” Chinese J. Chem., 37 (9):883–886 Link InsidecoverStory

92. Miao Xiao,# Xin Yue,# Ruirui Xu, Weijun Tang, Dong Xue, Chaoqun Li, Ming Lei,* Jianliang Xiao,* Chao Wang* (2019) “Transition‐Metal‐Free Hydrogen Autotransfer: Diastereoselective N‐Alkylation of Amines with Racemic Alcohols.” Angew. Chem. Int. Ed., 58 (31):10528-10536 (# Co-first author) Link BackcoverStory

91. Wei Zhang, Xuelu Ma, Hai Xiao, Ming Lei,* Jun Li* (2019) “Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity.” J. Phys. Chem. C, 123 (18):11763–11771 Link

90. Qinghong Xu, Jiali Liang, Xu Teng, Xin Yue, Ming Lei, Caifeng Ding, Chao Lu* (2019) ”Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes.” Chem. Commun., 55:5563-5566 Link

89. Lin Lu, Chenguang Luo, Hui Peng, Huanfeng Jiang, Ming Lei, Biaolin Yin* (2019) ”Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3.” Org. Lett., 21 (8):2602–2605 Link

88. Jialuo She, Xiangfeng Lin, Zaihui Fu,* Jianwei Li,* Senpei Tang, Ming Lei, Xin Zhang, Chao Zhang, Dulin Yin (2019) “HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(IV) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil.” Catal. Sci. Tech., 9: 275–285  Link

87. Jialing Ma, Hui Zhang, Xin Zhang,* Ming Lei* (2019) “3D-QSAR studies of D3R antagonists and 5-HT1AR agonists.” J. Mol. Graph. Model., 86:132-141 Link

86. Pei-Huan Zhang, Min Pu,* Yang Gao, Yu-Feng Zhang, Ming Lei, Zuo-Yin Yang (2018) “Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde.” J. Phys. Chem. A, 122(39): 7842–7851 Link

85. Yutian Yu, Xiaomin Hu, Ming Lei, Zuoying Yang* (2018). “The relationship between water molecule pairs and hydrogen bond energy in cage hydration clusters.” Journal of Beijing Univ. of Chem. Tech., 45(6): 6-12 Link

84. Pengjie Li, Longfei Li, Xin Yue, Qianyue Wang, Min Pu, Zuoyin Yang, Ming Lei* (2018) “1,2 addition or cycloaddition of allenes by a dihafnium μ−Nitrido complex? A DFT study.” J. Organomet. Chem., 874: 101-105 Link

83. Longfei Li, Ming Lei,* Li Liu,* Yaoming Xie, Henry F. Schaefer III* (2018) “Metal–Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst.” Inorg. Chem., 57 (15): 8778–8787 Link

82. Longfei Li, Ming Lei,* Yaoming Xie, Frank Weinhold, Henry F. Schaefer III* (2018) “Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its Al, Ga, In, and Tl Congeners.” Inorg. Chem., 57(13): 7851–7859 Link

81. Chen-Xi Wang, Min Pu,* Pei-Huan Zhang, Yang Gao, Zuo-Yin Yang, Ming Lei (2018) “Structure Simulation and Host–Guest Interaction of Histidine-Intercalated Hydrotalcite–Montmorillonite Complex.” Minerals, 8, 198 DOI:10.3390/min8050198 Link

80. Wei Zhang, Yiwei Zhang, Hui Li, Ming Lei* (2018) ” Theoretical Study on the Formation Mechanism of Catalytic Active Components in Suzuki-Miyaura Cross-Coupling Reaction Catalyzed by Transition Metal Cobalt Complexes.” Chem. J. Chinese Univ., 39(4): 721-728 Link

79. Longfei Li, Huajie Zhu, Li Liu, Datong Song,* Ming Lei* (2018) “A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2.” Inorg. Chem., 57: 3054−3060 Link

78. Pengjie Li, Yanxia Xi, Longfei Li, Hui Li, Wen-Hua Sun,* Ming Lei* (2018) “A DFT study on ring-opening polymerization of e-caprolactone initiated by Mg and Al complexes.” Inorg. Chim. Acta, 477(2018): 34-39 Link

77. Hai-Xia Wang*,Wan-Qin Wang, Min Pu, Ming Lei, Xiang-Dong Wang (2017) “The Application of Flipped Classroom Mode in the Experimental Teaching of Photometric Determination of Iron.” Univ. Chem., 32(6): 13-17 (王海霞*, 王婉秦, 蒲敏, 雷鸣, 王向东 (2017) “翻转课堂模式在光度法测铁实验教学中的应用” 大学化学 32(6): 13-17 Link

76. Longfei Li, Ming Lei,* Shigeyoshi Sakaki* (2017) “DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratorene: Characteristic Features of Iron Species.” Organometallics, 36(18): 3530–3538  link

75. Longfei Li, Ming Lei,* Yaoming Xie, Henry F. Schaefer III,* Bo Chen, Roald Hoffmann* (2017) “Stabilizing a different cyclooctatetraene stereoisomer.” Proc. Natl. Acad. Sci. USA, 114(37): 9803-9808 link

74. Xuelu Ma, Ming Lei* (2017) ”Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes.” J. Org. Chem., 82(5): 2703-2712 link

73. Jing Wang, Lei He, Feng Nan, Fan Wang, Hongming Li, Jingjiang Wang, Dong Liu, Ming Lei, Longfei Li, Qigu Huang,* Wantai Yang (2017) ”Investigation on terpolymer of ethylene/propylene/ω-bromo-α-olefins catalyzed by titanium complexes.” J. Mater. Sci., 52(10):5981-5991 link

72. Hao Cao, Yang Jiang, Haiyang Zhang, Kaili Nie, Ming Lei, Li Deng,* Fang Wang, Tianwei Tan* (2017) ”Enhancement of methanol resistance of Yarrowia lipolytica lipase 2 using β-cyclodextrin as an additive: Insights from experiments and molecular dynamics simulation.” Enzyme Microb. Tech., 96:157–162 link

71. Hao Cao, Meng Wang, Kaili Nie, Xin Zhang, Ming Lei, Li Deng,* Fang Wang, Tianwei Tan (2017) ”β-cyclodextrin as an additive to improve the thermostability of Yarrowia lipolytica Lipase 2: Experimental and simulation insights.” J. Taiwan Inst. Chem. E, 70:49-55 link

70. Yanxia Xi, Natesan Mannangatti Rajendran, Wenjuan Zhang, Yang Sun, Ming Lei, Wen-Hua Sun* (2016) ”Quinolyl-amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for ε-Caprolactone Polymerization.” ChemistrySelect 1: 5660-5665 link

69. Hui Li, Xuelu Ma, Baohua Zhang, Ming Lei* (2016) ”DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C–H Activation/Carbocyclization Catalyzed by Pd(OAc)2.” Organometallics 35(19): 3301-3310 link

68. Hui Li, Xuelu Ma, Ming Lei* (2016) ”Substituent Effects and Chemoselectivity in the Intramolecular Buchner Reaction of Diazoacetamide Derivatives Catalyzed by Di-Rh(II)-Complex .” Dalton Trans., 45: 8506-8612 link

67. Yiwei Zhang, Xuelu Ma, Xin Zhang,* Ming Lei*  (2016) ”Theoretical Study on N-N Activation by Thiolate-bridged Dinuclear Dinitrogen Transition-metal Complexes.” Acta Chim. Sinica, 74(4): 340-350 link

66. Xinli Duan, Xin Zhang,* Binglin Xu, Fang Wang, Ming Lei* (2016) ”Theoretical Study and Modified Design of Selective Dopamine D3 Receptor Agonists.” Chem. Biol. Drug Des., 88: 142-154 link

65. Longfei Li, Yuhui Pan, Ming Lei* (2016) ”The Enantioselectivity in Asymmetric Hydrogenation of Ketone Catalyzed by Ru-Binap Complex: Insights From a 3D-QSSR to DFT Study.” Catal. Sci. Technol.,  6: 4450-4457 link