Publications: 2016-now

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92. Yanhui Tang, Ming Lei* (2019) ”Mechanisms of Bifunctional Catalysis of Ketone Hydrogenation.” (Review, To be submitted)
91. Xuelu Ma, Ming Lei,* Djamaladdin G. Musaev, Keiji Morokuma* (2019) ”A Theoretical Explanation on the Difference of Hydrogenation and Hydrosilylation of Ditantalum Dinitrogen Complex.” (To be submitted)
90. 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
89. 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
88. 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
87. 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
86. 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
85. 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
84. 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
83. 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
82. 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
81. 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
80. 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
79. 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
78. 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
77. 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
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