Atmospheric chemistry of Criegee intermediates: Unimolecular reactions and reactions with water B Long, JL Bao, DG Truhlar Journal of the American Chemical Society 138 (43), 14409-14422, 2016 | 284 | 2016 |
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 Y Tang, S Zhao, B Long, JC Liu, J Li The Journal of Physical Chemistry C 120 (31), 17514-17526, 2016 | 141 | 2016 |
A water-promoted mechanism of alcohol oxidation on a Au (111) surface: Understanding the catalytic behavior of bulk gold CR Chang, XF Yang, B Long, J Li Acs Catalysis 3 (8), 1693-1699, 2013 | 140 | 2013 |
Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry B Long, JL Bao, DG Truhlar Nature communications 10 (1), 2003, 2019 | 91 | 2019 |
Formic Acid Catalyzed Gas‐Phase Reaction of H2O with SO3 and the Reverse Reaction: A Theoretical Study B Long, Z Long, Y Wang, X Tan, Y Han, C Long, S Qin, W Zhang ChemPhysChem 13 (1), 323-329, 2012 | 89 | 2012 |
Theoretical Studies on Reactions of the Stabilized H2COO with HO2 and the HO2···H2O Complex B Long, X Tan, Z Long, Y Wang, D Ren, W Zhang The Journal of Physical Chemistry A 115 (24), 6559-6567, 2011 | 84 | 2011 |
Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere B Long, JL Bao, DG Truhlar Proceedings of the National Academy of Sciences 115 (24), 6135-6140, 2018 | 82 | 2018 |
Reaction of SO 2 with OH in the atmosphere B Long, JL Bao, DG Truhlar Physical Chemistry Chemical Physics 19 (11), 8091-8100, 2017 | 79 | 2017 |
New mechanistic pathways for CO oxidation catalyzed by single-atom catalysts: Supported and doped Au1/ThO2 B Long, Y Tang, J Li Nano Research 9, 3868-3880, 2016 | 78 | 2016 |
Theoretical Studies on Gas-Phase Reactions of Sulfuric Acid Catalyzed Hydrolysis of Formaldehyde and Formaldehyde with Sulfuric Acid and H2SO4···H2O … B Long, XF Tan, CR Chang, WX Zhao, ZW Long, DS Ren, WJ Zhang The Journal of Physical Chemistry A 117 (24), 5106-5116, 2013 | 75 | 2013 |
Kinetics of the Strongly Correlated CH3O + O2 Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry B Long, JL Bao, DG Truhlar Journal of the American Chemical Society 141 (1), 611-617, 2018 | 67 | 2018 |
Theoretical studies on the synergetic effects of Au–Pd bimetallic catalysts in the selective oxidation of methanol CR Chang, B Long, XF Yang, J Li The Journal of Physical Chemistry C 119 (28), 16072-16081, 2015 | 59 | 2015 |
Theoretical study on the gas phase reaction of sulfuric acid with hydroxyl radical in the presence of water B Long, W Zhang, X Tan, Z Long, Y Wang, D Ren The Journal of Physical Chemistry A 115 (8), 1350-1357, 2011 | 53 | 2011 |
Atmospheric kinetics: bimolecular reactions of carbonyl oxide by a triple-level strategy B Long, Y Wang, Y Xia, X He, JL Bao, DG Truhlar Journal of the American Chemical Society 143 (22), 8402-8413, 2021 | 49 | 2021 |
Nitric acid catalyzed hydrolysis of SO3 in the formation of sulfuric acid: A theoretical study B Long, CR Chang, ZW Long, YB Wang, XF Tan, WJ Zhang Chemical Physics Letters 581, 26-29, 2013 | 44 | 2013 |
Atmospheric chemistry of CH 3 CHO: the hydrolysis of CH 3 CHO catalyzed by H 2 SO 4 XF Tan, B Long, DS Ren, WJ Zhang, ZW Long, E Mitchell Physical Chemistry Chemical Physics 20 (11), 7701-7709, 2018 | 42 | 2018 |
Theoretical study on the detailed reaction mechanisms of carbonyl oxide with formic acid B Long, JR Cheng, X Tan, W Zhang Journal of Molecular Structure: THEOCHEM 916 (1-3), 159-167, 2009 | 42 | 2009 |
A theoretical study on the catalytic role of water in methanol steam reforming on PdZn (111) ZQ Huang, B Long, CR Chang Catalysis Science & Technology 5 (5), 2935-2944, 2015 | 41 | 2015 |
Laser desorption/ionization mass spectrometric study of secondary organic aerosol formed from the photooxidation of aromatics M Huang, W Zhang, L Hao, Z Wang, W Zhao, X Gu, X Guo, X Liu, B Long, ... Journal of atmospheric chemistry 58, 237-252, 2007 | 35 | 2007 |
How Much Can Density Functional Approximations (DFA) Fail? The Extreme Case of the FeO4 Species W Huang, DH Xing, JB Lu, B Long, WHE Schwarz, J Li Journal of Chemical Theory and Computation 12 (4), 1525-1533, 2016 | 34 | 2016 |