| Year |
Citation |
Score |
| 2024 |
Zhang YQ, Francisco JS, Long B. Rapid Atmospheric Reactions between Criegee Intermediates and Hypochlorous Acid. The Journal of Physical Chemistry. A. PMID 38271208 DOI: 10.1021/acs.jpca.3c06144 |
0.352 |
|
| 2024 |
Zhang SY, Tang SB, Jiang YX, Zhu RY, Wang ZX, Long B, Su J. Mechanism of the Visible-Light-Promoted C(sp)-H Oxidation via Uranyl Photocatalysis. Inorganic Chemistry. PMID 38264973 DOI: 10.1021/acs.inorgchem.3c03347 |
0.439 |
|
| 2023 |
Dong Z, Francisco JS, Long B. Ammonolysis of Glyoxal at the Air-Water Nanodroplet Interface. Angewandte Chemie (International Ed. in English). e202316060. PMID 38084872 DOI: 10.1002/anie.202316060 |
0.327 |
|
| 2023 |
Deng DD, Long B. Quantitative kinetics of the atmospheric reaction between isocyanic acid and hydroxyl radicals: post-CCSD(T) contribution, anharmonicity, recrossing effects, torsional anharmonicity, and tunneling. Physical Chemistry Chemical Physics : Pccp. 26: 485-492. PMID 38079149 DOI: 10.1039/d3cp04385a |
0.352 |
|
| 2023 |
Long B, Xia Y, Zhang YQ, Truhlar DG. Kinetics of Sulfur Trioxide Reaction with Water Vapor to Form Atmospheric Sulfuric Acid. Journal of the American Chemical Society. PMID 37651227 DOI: 10.1021/jacs.3c06032 |
0.381 |
|
| 2023 |
Sun Y, Long B, Truhlar DG. Unimolecular Reactions of -Glycolaldehyde Oxide and Its Reactions with One and Two Water Molecules. Research (Washington, D.C.). 6: 0143. PMID 37435010 DOI: 10.34133/research.0143 |
0.384 |
|
| 2022 |
Li GB, Cai SH, Long B. New Reactions for the Formation of Organic Nitrate in the Atmosphere. Acs Omega. 7: 39671-39679. PMID 36385897 DOI: 10.1021/acsomega.2c03321 |
0.325 |
|
| 2022 |
Long B, Xia Y, Truhlar DG. Quantitative Kinetics of HO Reactions with Aldehydes in the Atmosphere: High-Order Dynamic Correlation, Anharmonicity, and Falloff Effects Are All Important. Journal of the American Chemical Society. PMID 36264240 DOI: 10.1021/jacs.2c07994 |
0.31 |
|
| 2022 |
Zhang YQ, Xia Y, Long B. Quantitative kinetics for the atmospheric reactions of Criegee intermediates with acetonitrile. Physical Chemistry Chemical Physics : Pccp. PMID 36200683 DOI: 10.1039/d2cp02849b |
0.317 |
|
| 2022 |
Zhao YC, Long B, Francisco JS. Quantitative Kinetics of the Reaction between CHOO and HO in the Atmosphere. The Journal of Physical Chemistry. A. PMID 36103673 DOI: 10.1021/acs.jpca.2c04408 |
0.351 |
|
| 2022 |
Long B, Xia Y, Bao JL, Carmona-García J, Gómez Martín JC, Plane JMC, Saiz-Lopez A, Roca-Sanjuán D, Francisco JS. Reaction of SO with HONO and Implications for Sulfur Partitioning in the Atmosphere. Journal of the American Chemical Society. PMID 35576167 DOI: 10.1021/jacs.2c03499 |
0.376 |
|
| 2021 |
Long B, Wang Y, Xia Y, He X, Bao JL, Truhlar DG. Atmospheric Kinetics: Bimolecular Reactions of Carbonyl Oxide by a Triple-Level Strategy. Journal of the American Chemical Society. PMID 34029069 DOI: 10.1021/jacs.1c02029 |
0.354 |
|
| 2020 |
Tan XF, Zhang L, Long B. New mechanistic pathways for the formation of organosulfates catalyzed by ammonia and carbinolamine formation catalyzed by sulfuric acid in the atmosphere. Physical Chemistry Chemical Physics : Pccp. PMID 32285054 DOI: 10.1039/C9Cp06297A |
0.467 |
|
| 2020 |
Zhang T, Bi X, Wen M, Liu S, Chai G, Zeng Z, Wang R, Wang W, Long B. The HO4H → O3 + H2O reaction catalysed by acidic, neutral and basic catalysts in the troposphere Molecular Physics. 118. DOI: 10.1080/00268976.2019.1673912 |
0.418 |
|
| 2020 |
Xu F, Tan X, Dong Z, Ren D, Long B. Hydrolysis of ketene catalysed by nitric acid and water in the atmosphere Environmental Chemistry. DOI: 10.1071/En19202 |
0.497 |
|
| 2020 |
Yang Z, Lin X, Long B, Zhang W. A computational investigation on the HO2 and isopropyl peroxy radical reaction: Mechanism and kinetics Chemical Physics Letters. 749: 137442. DOI: 10.1016/J.Cplett.2020.137442 |
0.446 |
|
| 2019 |
Yang Z, Lin X, Zhou J, Hu M, Gai Y, Zhao W, Long B, Zhang W. Computational study on the mechanism and kinetics for the reaction between HO and -propyl peroxy radical. Rsc Advances. 9: 40437-40444. PMID 35542643 DOI: 10.1039/c9ra07503h |
0.356 |
|
| 2019 |
Zhang T, Zhang Y, Wen M, Tang Z, Long B, Yu X, Zhao C, Wang W. Effects of water, ammonia and formic acid on HO + Cl reactions under atmospheric conditions: competition between a stepwise route and one elementary step. Rsc Advances. 9: 21544-21556. PMID 35521297 DOI: 10.1039/c9ra03541a |
0.377 |
|
| 2019 |
Zhang L, Long B. Hydrolysis of Formyl Fluoride Catalyzed by Sulfuric Acid and Formic Acid in the Atmosphere. Acs Omega. 4: 18996-19004. PMID 31763521 DOI: 10.1021/acsomega.9b01864 |
0.407 |
|
| 2019 |
Zhang T, Wen M, Zhang Y, Lan X, Long B, Wang R, Yu X, Zhao C, Wang W. Atmospheric chemistry of the self-reaction of HO radicals: stepwise mechanism versus one-step process in the presence of (HO) (n = 1-3) clusters. Physical Chemistry Chemical Physics : Pccp. PMID 31646308 DOI: 10.1039/C9Cp03530C |
0.467 |
|
| 2019 |
Long B, Bao JL, Truhlar DG. Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry. Nature Communications. 10: 2003. PMID 31043594 DOI: 10.1038/S41467-019-09948-7 |
0.42 |
|
| 2019 |
Yang Z, Lin X, Zhou J, Hu M, Gai Y, Zhao W, long B, Zhang W. Computational study on the mechanism and kinetics for the reaction between HO2 and n-propyl peroxy radical Rsc Advances. 9: 40437-40444. DOI: 10.1039/C9Ra07503H |
0.434 |
|
| 2019 |
Zhang T, Zhang Y, Wen M, Tang Z, Long B, Yu X, Zhao C, Wang W. Effects of water, ammonia and formic acid on HO2 + Cl reactions under atmospheric conditions: competition between a stepwise route and one elementary step Rsc Advances. 9: 21544-21556. DOI: 10.1039/C9Ra03541A |
0.44 |
|
| 2018 |
Long B, Bao JL, Truhlar DG. Kinetics of the Strongly Correlated CH3O + O2 Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry. Journal of the American Chemical Society. PMID 30543103 DOI: 10.1021/Jacs.8B11766 |
0.415 |
|
| 2018 |
Ma Q, Lin X, Yang C, Long B, Gai Y, Zhang W. The influences of ammonia on aerosol formation in the ozonolysis of styrene: roles of Criegee intermediate reactions. Royal Society Open Science. 5: 172171. PMID 29892406 DOI: 10.1098/Rsos.172171 |
0.424 |
|
| 2018 |
Long B, Bao JL, Truhlar DG. Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere. Proceedings of the National Academy of Sciences of the United States of America. PMID 29844185 DOI: 10.1073/Pnas.1804453115 |
0.418 |
|
| 2018 |
Tan XF, Long B, Ren DS, Zhang WJ, Long ZW, Mitchell E. Atmospheric chemistry of CHCHO: the hydrolysis of CHCHO catalyzed by HSO. Physical Chemistry Chemical Physics : Pccp. PMID 29498386 DOI: 10.1039/C7Cp07312G |
0.483 |
|
| 2018 |
Zhang Q, Lin X, Gai Y, Ma Q, Zhao W, Fang B, Long B, Zhang W. Kinetic and mechanistic study on gas phase reactions of ozone with a series of cis-3-hexenyl esters Rsc Advances. 8: 4230-4238. DOI: 10.1039/C7Ra13369C |
0.412 |
|
| 2018 |
Dong Z, Xu F, Long B. The energetics and kinetics of the CH3CHO + (CH3)2NH/CH3NH2 reactions catalyzed by a single water molecule in the atmosphere Computational and Theoretical Chemistry. 1140: 7-13. DOI: 10.1016/J.Comptc.2018.07.013 |
0.394 |
|
| 2017 |
Long B, Bao JL, Truhlar DG. Reaction of SO2 with OH in the atmosphere. Physical Chemistry Chemical Physics : Pccp. PMID 28265640 DOI: 10.1039/C7Cp00497D |
0.416 |
|
| 2017 |
Wei M, Tan X, Long Z, Long B. Atmospheric chemistry of CH3O: its unimolecular reaction and reactions with H2O, NH3, and HF Rsc Advances. 7: 56211-56219. DOI: 10.1039/C7Ra09167B |
0.467 |
|
| 2017 |
Long B, Tan X, Bao JL, Wang D, Long Z. Theoretical Study of the Reaction Mechanism and Kinetics of HO2 with XCHO (X = F, Cl) International Journal of Chemical Kinetics. 49: 130-139. DOI: 10.1002/Kin.21062 |
0.349 |
|
| 2016 |
Long B, Bao JL, Truhlar DG. Atmospheric Chemistry of Criegee Intermediates. Unimolecular Reactions and Reactions with Water. Journal of the American Chemical Society. PMID 27682870 DOI: 10.1021/Jacs.6B08655 |
0.481 |
|
| 2016 |
Huang W, Xing DH, Lu JB, Long B, Schwarz WH, Li J. How Far Can Density Functional Approximations (DFA) Fail? The Extreme Case of FeO4 Species. Journal of Chemical Theory and Computation. PMID 26938575 DOI: 10.1021/Acs.Jctc.5B01040 |
0.586 |
|
| 2016 |
Wang D, Long Z, Tan X, Long B, Zhang W. Theoretical Study on Gas Phase Reactions of OH Hydrogen-Abstraction from Formyl Fluoride with Different Catalysts Chinese Journal of Chemical Physics. 29: 325-334. DOI: 10.1063/1674-0068/29/Cjcp1509187 |
0.489 |
|
| 2016 |
Tang Y, Zhao S, Long B, Liu J, 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 Journal of Physical Chemistry C. 120: 17514-17526. DOI: 10.1021/Acs.Jpcc.6B05338 |
0.384 |
|
| 2016 |
Long B, Tang Y, Li J. New mechanistic pathways for CO oxidation catalyzed by single-atom catalysts: Supported and doped Au1/ThO2 Nano Research. 1-13. DOI: 10.1007/S12274-016-1256-X |
0.394 |
|
| 2015 |
Liu FY, Tan XF, Long ZW, Long B, Zhang WJ. New insights in atmospheric acid-catalyzed gas phase hydrolysis of formaldehyde: a theoretical study Rsc Advances. 5: 32941-32949. DOI: 10.1039/C5Ra04118J |
0.435 |
|
| 2015 |
Huang ZQ, Long B, Chang CR. A theoretical study on the catalytic role of water in methanol steam reforming on PdZn(111) Catalysis Science and Technology. 5: 2935-2944. DOI: 10.1039/C5Cy00016E |
0.671 |
|
| 2015 |
Chang CR, Long B, Yang XF, Li J. Theoretical Studies on the Synergetic Effects of Au-Pd Bimetallic Catalysts in the Selective Oxidation of Methanol Journal of Physical Chemistry C. 119: 16072-16081. DOI: 10.1021/Acs.Jpcc.5B03965 |
0.634 |
|
| 2014 |
Liu FY, Long ZW, Tan XF, Long B. The reaction mechanisms and kinetics of CF3CHFOCH 3 and CHF 2CHFOCF 3 with atomic chlorine: a computational study. Journal of Molecular Modeling. 20: 2435. PMID 25204584 DOI: 10.1007/S00894-014-2435-X |
0.442 |
|
| 2014 |
Liu F, Long Z, Tan X, Long B. Theoretical investigation on mechanisms and kinetics of the reactions of Cl atom with CH3OOH and CH3CH2OOH Computational and Theoretical Chemistry. 1038: 33-39. DOI: 10.1016/J.Comptc.2014.04.011 |
0.412 |
|
| 2013 |
Long B, Tan XF, Chang CR, Zhao WX, Long ZW, Ren DS, Zhang WJ. Theoretical studies on gas-phase reactions of sulfuric acid catalyzed hydrolysis of formaldehyde and formaldehyde with sulfuric acid and H2SO4···H2O complex. The Journal of Physical Chemistry. A. 117: 5106-16. PMID 23701044 DOI: 10.1021/Jp312844Z |
0.675 |
|
| 2013 |
Chang CR, Yang XF, Long B, Li J. A water-promoted mechanism of alcohol oxidation on a Au(111) surface: Understanding the catalytic behavior of bulk gold Acs Catalysis. 3: 1693-1699. DOI: 10.1021/Cs400344R |
0.673 |
|
| 2013 |
Long B, Chang CR, Long ZW, Wang YB, Tan XF, Zhang WJ. Nitric acid catalyzed hydrolysis of SO3 in the formation of sulfuric acid: A theoretical study Chemical Physics Letters. 581: 26-29. DOI: 10.1016/J.Cplett.2013.07.012 |
0.682 |
|
| 2013 |
Mao W, Long Z, Long B, Wang Y, Long C, Qin S. Theoretical study on the gas phase reaction of dimethyl sulfoxide with atomic chlorine in the presence of water Structural Chemistry. 24: 383-392. DOI: 10.1007/S11224-012-0086-Z |
0.457 |
|
| 2012 |
Long B, Long ZW, Wang YB, Tan XF, Han YH, Long CY, Qin SJ, Zhang WJ. Formic acid catalyzed gas-phase reaction of H2O with SO3 and the reverse reaction: a theoretical study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 323-9. PMID 22095771 DOI: 10.1002/Cphc.201100558 |
0.462 |
|
| 2012 |
Long B, Long Z, Wang Y, Zhang W, Long C, Qin S. Theoretical study on HO2‐initiated atmospheric oxidation of halogenated carbonyls International Journal of Quantum Chemistry. 112: 1926-1935. DOI: 10.1002/Qua.23189 |
0.422 |
|
| 2011 |
Long B, Tan XF, Long ZW, Wang YB, Ren DS, Zhang WJ. Theoretical studies on reactions of the stabilized H2COO with HO2 and the HO2···H2O complex. The Journal of Physical Chemistry. A. 115: 6559-67. PMID 21598911 DOI: 10.1021/Jp200729Q |
0.468 |
|
| 2011 |
Long B, Zhang WJ, Tan XF, Long ZW, Wang YB, Ren DS. Theoretical study on the gas phase reaction of sulfuric acid with hydroxyl radical in the presence of water. The Journal of Physical Chemistry. A. 115: 1350-7. PMID 21302904 DOI: 10.1021/Jp107550W |
0.499 |
|
| 2011 |
Long B, Zhang W, Long Z. Theoretical Study on Impact of Single Water Molecule on OH+O3 Reaction Chinese Journal of Chemical Physics. 24: 419-424. DOI: 10.1088/1674-0068/24/04/419-424 |
0.475 |
|
| 2011 |
Long B, Tan X, Long Z, Ren D, Zhang W. Theoretical Study on Decomposition of CF3OH Catalyzed by Water Dimer and Ammonia Chinese Journal of Chemical Physics. 24: 16-21. DOI: 10.1088/1674-0068/24/01/16-21 |
0.434 |
|
| 2011 |
Long B, Zhang W, Tan X, Long Z, Wang Y, Ren D. Theoretical studies on the gas phase reaction mechanisms and kinetics of glyoxal with HO2 with water and without water Computational and Theoretical Chemistry. 964: 248-256. DOI: 10.1016/J.Comptc.2011.01.003 |
0.474 |
|
| 2010 |
Long B, Tan X, Ren D, Zhang W. Theoretical study on the water-catalyzed reaction of glyoxal with OH radical Journal of Molecular Structure-Theochem. 956: 44-49. DOI: 10.1016/J.Theochem.2010.06.021 |
0.387 |
|
| 2010 |
Long B, Tan X, Ren D, Zhang W. Theoretical studies on energetics and mechanisms of the decomposition of CF3OH Chemical Physics Letters. 492: 214-219. DOI: 10.1016/J.Cplett.2010.04.052 |
0.43 |
|
| 2009 |
Long B, Cheng J, Tan X, Zhang W. Theoretical study on the detailed reaction mechanisms of carbonyl oxide with formic acid Journal of Molecular Structure-Theochem. 916: 159-167. DOI: 10.1016/J.Theochem.2009.09.028 |
0.441 |
|
| 2008 |
Long B, Huang M, Wang Z, Zhang W. Theoretical Studies on the Kinetics and Mechanisms of Reactions for Methyl Vinyl Ether and Ozone Chinese Journal of Chemical Physics. 21: 324-332. DOI: 10.1088/1674-0068/21/04/324-332 |
0.422 |
|
| 2008 |
Huang M, zhang W, Wang Z, Hao L, Zhao W, Liu X, Long B, Fang L. Theoretical investigation on the mechanism and kinetics of toluene-OH adduct with oxygen molecule Journal of Molecular Structure-Theochem. 862: 28-32. DOI: 10.1016/J.Theochem.2008.04.025 |
0.42 |
|
| 2008 |
Huang M, Zhang W, Wang Z, Hao L, Zhao W, Liu X, Long B, Fang L. Theoretical investigation on the detailed mechanism of the OH‐initiated atmospheric photooxidation of o‐xylene International Journal of Quantum Chemistry. 108: 954-966. DOI: 10.1002/Qua.21543 |
0.379 |
|
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