主要论文
33. Huang, W.; Xing, D. H.; Lu, J. B.; Long, B.; Schwarz, W. H.; Li, J. How Much Can Density Functional Approximations (DFA) Fail? The Extreme Case of the FeO4 Species. J. Chem. Theory. Comput. 2016, 12, 1525-1533.
https://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b01040
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32. Tang, Y.; Zhao, S.; Long, B.; Liu, J. C.; Li, J. On the Nature of Support Effects of Metal Dioxides MO2 (M = Ti, Zr, Hf, Ce,Th) in Single-Atom Gold Catalysts: Importance of Quantum Primogenic Effect. J. Phys. Chem. C 2016, 120, 17514-17526.
https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b05338
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31. Long, B.*; Tan, X.-F.; Wang, Y.-B.; Li, J.; Ren, D.-S.; Zhang , W.-J., Theoretical Studies on Reactions of OH with H2SO4…NH3 Complex and NH2 with H2SO4 in the Presence of Water. ChemistrySelect 2016, 1, 1421-1430.
https://onlinelibrary.wiley.com/doi/abs/10.1002/slct.201600194
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30. Wang, D.-m.; Long, Z.-w.; Tan, X.-f.; Long, B.*; Zhang, W.-j.* Theoretical Study on Gas Phase Reactions of OH Hydrogen-Abstraction from Formyl Fluoride with Different Catalysts. Chinese J Chem Phys 2016, 29, 325.
https://doi.org/10.1063/1674-0068/29/cjcp1509187
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29. Long, B.; Tang, Y.; Li, J.*, New mechanistic pathways for CO oxidation catalyzed by single-atom catalysts: Supported and doped Au1/ThO2. Nano Res. 2016, 9, 3868-3880.
https://link.springer.com/article/10.1007/s12274-016-1256-x
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28. Long, B.; Bao, J. L.; Truhlar, D. G.*, Atmospheric Chemistry of Criegee Intermediates: Unimolecular Reactions and Reactions with Water. J. Am. Chem. Soc. 2016, 138, 14409-14422.
http://pubs.acs.org/doi/10.1021/jacs.6b08655
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