Dr. Qingzhu Zhang
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Dr. Qingzhu Zhang

Research Scientist
Shandong University, China

Highest Degree
Ph.D. in Chemistry from Shandong University, China

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Biography

Dr. Qingzhu Zhang obtained her MSc and PhD degree in Chemistry from Shandong University in 2000 and 2003 respectively. Her area of research interest related to Quantum Chemical Calculation and Molecular Simulation Studies on the Formation of the Secondary Organic Aerosol, the Formation of PCDD/Fs, the Chemical and Microbial Degradation of POPs and the Kinetical Calculations of the Elementary Reactions. She has published 68 articles in journals as author/co-author.

Area of Interest:

Chemistry
100%
Quantum-Chemical Calculations
62%
Molecular Simulation
90%
Secondary Organic Aerosol
75%
Microbial Degradation
55%

Research Publications in Numbers

Books
0
Chapters
0
Articles
0
Abstracts
0

Selected Publications

  1. Sun, Y., Q. Zhang, J. Hu, J. Chen and W. Wang, 2015. Theoretical study for OH radical-initiated atmospheric oxidation of ethyl acrylate. Chemosphere, 119: 626-633.
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  2. Li, Y., R. Zhang, L. Du, Q. Zhang and W. Wang, 2015. Insights into the catalytic mechanism of chlorophenol 4-monooxygenase: A quantum mechanics/molecular mechanics study. RSC Adv., 5: 13871-13877.
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  3. Dang, J., X. Shi, Q. Zhang, J. Hu and W. Wang, 2015. Mechanism and thermal rate constant for the gas-phase ozonolysis of acenaphthylene in the atmosphere. Sci. Total Environ., 514: 344-350.
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  4. Dang, J., X. Shi, Q. Zhang, J. Hu and W. Wang, 2015. Mechanism and kinetic properties for the OH-initiated atmospheric oxidation degradation of 9,10-Dichlorophenanthrene. Sci. Total Environ., 505: 787-794.
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  5. Dang, J., X. Shi, Q. Zhang and W. Wang, 2015. Theoretical perspectives on the mechanism and kinetics of the OH radical-initiated gas-phase oxidation of PCB126 in the atmosphere. Sci. Total Environ., 517: 1-9.
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  6. Zhang, Q., R. Gao, F. Xu, Q. Zhou and G. Jiang et al., 2014. Role of water molecule in the gas-phase formation process of nitrated polycyclic aromatic hydrocarbons in the atmosphere: A computational study. Environ. Sci. Technol., 48: 5051-5057.
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  7. Tang, X., L. Zhu, J. Chen, J. Hu, Q. Zhang and W. Wang, 2014. Reaction pathway for reactivation and aging of paraoxon-inhibited-acetylcholinesterase: A QM/MM study. Comput. Theoret. Chem., 1035: 44-50.
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  8. Liu, C., S. Li, R. Gao, J. Dang, W. Wang and Q. Zhang, 2014. Mechanism and kinetic properties of NO3-initiated atmospheric degradation of DDT. J. Environ. Sci., 26: 601-607.
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  9. Li, Y., X. Shi, Q. Zhang, J. Hu, J. Chen and W. Wang, 2014. Computational evidence for the detoxifying mechanism of epsilon class glutathione transferase toward the insecticide DDT. Environ. Sci. Technol., 48: 5008-5016.
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  10. Gao, R., X. Sun, W. Yu, Q. Zhang and W. Wang, 2014. Mechanism and rate constants for complete series reactions of 19 fluorophenols with atomic H. J. Environ. Sci., 26: 154-159.
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  11. Gao, R., L. Zhu, Q. Zhang and W. Wang, 2014. Atmospheric oxidation mechanism and kinetic studies for OH and NO3 radical-initiated reaction of methyl methacrylate. Int. J. Mol. Sci., 15: 5032-5044.
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  12. Gao, R., L. Zhu, F. Xu, W. Yu, Q. Zhang and W. Wang, 2014. Homogeneous gas-phase formation mechanism of emerging organic pollutants polyfluorinated dibenzo-p-dioxins and dibenzofurans from 2-fluorophenol. Asian J. Chem., 26: 2784-2788.
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  13. Dang, J., X. Shi, Q. Zhang, J. Hu, J. Chen and W. Wang, 2014. Mechanistic and kinetic studies on the OH-initiated atmospheric oxidation of fluoranthene. Sci. Total Environ., 490: 639-646.
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  14. Dang, J., L. Ding, X. Sun, Q. Zhang and W. Wang, 2014. Mechanism for OH-initiated atmospheric oxidation of the organophosphorus insecticide phorate. Struct. Chem., 25: 275-284.
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  15. Yu, W., P. Li, F. Xu, J. Hu, Q. Zhang and W. Wang, 2013. Quantum chemical and direct dynamic study on homogeneous gas-phase formation of PBDD/Fs from 2,4,5-tribromophenol and 3,4-dibromophenol. Chemosphere, 93: 512-520.
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  16. Sun, X., L. Ding, Q. Zhang and W. Wang, 2013. Atmospheric oxidation mechanism of polyfluorinated sulfonamides-a quantum chemical and kinetic study. Can. J. Chem., 91: 472-478.
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  17. Li, Y., L. Ding, Q. Zhang and W. Wang, 2013. MD and QM/MM study on catalytic mechanism of a FAD-dependent enzyme ORF36: For nitro sugar biosynthesis. J. Mol. Graph. Modell., 44: 9-16.
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  18. Gao, R., F. Xu, S. Li, J. Hu, Q. Zhang and W. Wang, 2013. Formation of bromophenoxy radicals from complete series reactions of bromophenols with H and OH radicals. Chemosphere, 92: 382-390.
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  19. Dang, J., L. Ding, X. Sun, Q. Zhang and W. Wang, 2013. Theoretical study on the OH-initiated atmospheric reaction of N-methyl perfluorobutane sulfonamidoethanol (C4F9SO2N(CH3)CH2CH2OH). Can. J. Chem., 91: 1161-1167.
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  20. Wang, Z., T. Wang, J. Guo, R. Gao and L. Xue et al., 2012. Formation of secondary organic carbon and cloud impact on carbonaceous aerosols at Mount Tai, North China. Atmos. Environ., 46: 516-527.
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  21. Sun, X., Y. Hu, F. Xu, Q. Zhang and W. Wang, 2012. Mechanism and kinetic studies for OH radical-initiated atmospheric oxidation of methyl propionate. Atmos. Environ., 63: 14-21.
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  22. Sun, X., C. Zhang, Y. Zhao, J. Bai, Q. Zhang and W. Wang, 2012. Atmospheric chemical reactions of 2,3,7,8-tetrachlorinated dibenzofuran initiated by an OH radical: Mechanism and kinetics study. Environ. Sci. Technol., 46: 8148-8155.
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  23. Li, Y., X. Sun, L. Du, Q. Zhang and W. Wang, 2012. QM/MM study on the spontaneous reactivation mechanism of (±)methamidophos-inhibited-acetylcholinesterase. Comput. Theoret. Chem., 980: 108-114.
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  24. Yu, W., J. Hu, F. Xu, X. Sun, R. Gao, Q. Zhang and W. Wang, 2011. Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD/Fs from 2-BP, 2,4-DBP and 2,4,6-TBP as precursors. Environ. Sci. Technol., 45: 1917-1925.
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  25. Wang, Z., T. Wang, R. Gao, L. Xue and J. Guo et al., 2011. Source and variation of carbonaceous aerosols at Mount Tai, North China: Results from a semi-continuous instrument. Atmos. Environ., 45: 1655-1667.
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  26. Zhou, Q., X. Sun, R. Gao, Q. Zhang and W. Wang, 2010. Mechanism study on OH-initiated atmospheric degradation of the organophosphorus pesticide chlorpyrifos. J. Mol. Struct.: THEOCHEM, 952: 8-15.
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  27. Zhang, Q., W. Yu, R. Zhang, Q. Zhou, R. Gao and W. Wang, 2010. Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors. Environ. Sci. Technol., 44: 3395-3403.
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  28. Xu, F., W. Yu, R. Gao, Q. Zhou, Q. Zhang and W. Wang, 2010. Dioxin formations from the radical/radical cross-condensation of phenoxy radicals with 2-chlorophenoxy radicals and 2,4,6-trichlorophenoxy radicals. Environ. Sci. Technol., 44: 6745-6751.
    CrossRef  |  Direct Link  |  
  29. Xu, F., W. Yu, Q. Zhou, R. Gao, X. Sun, Q. Zhang and W. Wang, 2010. Mechanism and direct kinetic study of the polychlorinated dibenzo-p-dioxin and dibenzofuran formations from the radical/radical cross-condensation of 2,4-dichlorophenoxy with 2-chlorophenoxy and 2,4,6-trichlorophenoxy. Environ. Sci. Technol., 45: 643-650.
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  30. Xu, F., H. Wang, Q. Zhang, R. Zhang, X. Qu and W. Wang, 2010. Kinetic properties for the complete series reactions of chlorophenols with OH radicals-relevance for dioxin formation. Environ. Sci. Technol., 44: 1399-1404.
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  31. Zhou, Q., X. Shi, F. Xu, Q. Zhang, M. He and W. Wang, 2009. Mechanism of OH-initiated atmospheric photooxidation of the organophosphorus insecticide (C2H5O)3 PS. Atmos. Environ., 43: 4163-4170.
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  32. Zhao, Y., H. Wang, X. Sun, Q. Zhang and W. Wang, 2009. Mechanism for OH-initiated oxidation of n-octane in the presence of O2 and NO: A DFT study. Chin. J. Chem., 27: 281-288.
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  33. Zhang, Q., X. Qu, H. Wang, F. Xu, X. Shi and W. Wang, 2009. Mechanism and thermal rate constants for the complete series reactions of chlorophenols with H. Environ. Sci. Technol., 43: 4105-4112.
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  34. Qu, X., H. Wang, Q. Zhang, X. Shi, F. Xu and W. Wang, 2009. Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol. Environ. Sci. Technol., 43: 4068-4075.
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  35. He, M., H. Wang, X. Sun, Q. Zhang and W. Wang, 2009. Theoretical study of OH-initiated atmospheric oxidation for propyl vinyl ether. J. Theoret. Comput. Chem., 8: 261-277.
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  36. Zhang, Q., S. Li, X. Qu, X. Shi and W. Wang, 2008. A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor. Environ. Sci. Technol., 42: 7301-7308.
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  37. Sun, X., T. Sun, Q. Zhang and W. Wang, 2008. Degradation mechanism of PCDDs initiated by OH radical in Photo-Fenton oxidation technology: Quantum chemistry and quantitative structure-activity relationship. Sci. Total Environ., 402: 123-129.
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  38. Sun, X., M. He, Q. Zhang, W. Wang and A.F. Jalbout, 2008. Quantum chemical study on the atmospheric photooxidation of Methyl Vinyl Ether (MVE). J. Mol. Struct.: THEOCHEM, 868: 87-93.
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  39. Qu, X., Q. Zhang and W. Wang, 2008. Theoretical study on NO3-initiated oxidation of acenaphthene in the atmosphere. Can. J. Chem., 86: 129-137.
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  40. Zhang, Q., X. Qu and W. Wang, 2007. Mechanism of OH-initiated atmospheric photooxidation of dichlorvos: A quantum mechanical study. Environ. Sci. Technol., 41: 6109-6116.
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  41. Zhang, Q., T. Sun, S. Li and W. Wang, 2006. Mechanism and kinetics properties for the reaction: Chloroethane with atomic O(3P). Chem. Phys., 322: 279-288.
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  42. Zhang, Q., H. Wang, T. Sun and W. Wang, 2006. A theoretical investigation for the reaction of CH3CH2 SH with atomic H: Mechanism and kinetics properties. Chem. Phys., 324: 298-306.
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  43. Qu, X., Q. Zhang and W. Wang, 2006. Theoretical study on mechanism for NO3-initiated atmospheric oxidation of naphthalene. Chem. Phys. Lett., 432: 40-49.
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  44. Qu, X., Q. Zhang and W. Wang, 2006. Mechanism for OH-initiated photooxidation of naphthalene in the presence of O2 and NOx: A DFT study. Chem. Phys. Lett., 429: 77-85.
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  45. Qu, X., Q. Zhang and W. Wang, 2006. Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study. Chem. Phys. Lett., 426: 13-19.
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  46. Li, S., Q. Zhang and W. Wang, 2006. Ab initio and variational transition state approach to atmospheric photooxidation: Mechanism and kinetics for the reaction of HN3 with OH radicals. Chem. Phys. Lett., 428: 262-267.
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  47. Zhang, Q., T. Sun, X. Zhou and W. Wang, 2005. Rate parameters and branching ratios for the multiple-channel reaction of dimethyl sulfide DMS with atomic H. Chem. Phys. Lett., 414: 316-321.
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  48. Zhang, Q., R.Q. Zhang, K.S. Chan and I. Bello, 2005. Ab initio and variational transition state approach to β-C3N4 formation: Kinetics for the reaction of CH3NH2 with H. J. Phys. Chem. A, 109: 9112-9117.
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  49. Sun, T., Q. Zhang, X. Qu and W. Wang, 2005. Mechanism and direct dynamics studies for the reaction of monoethylsilane EtSiH3 with atomic O(3P). Chem. Phys. Lett., 407: 527-532.
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  50. Zhang, Q., Y. Gu and S. Wang, 2004. Theoretical study on the reaction path dynamics and rate constants for the hydrogen-abstraction reaction of atomic O(3P) with CH2FCl. Chem. Phys. Lett., 383: 304-308.
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  51. Zhang, Q., Y. Gu and S. Wang, 2004. A computational study on mechanism and kinetics for the abstraction reaction of SiHCl3 with atomic O(3P). Chem. Phys. Lett., 383: 16-20.
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  52. Zhang, Q., R.Q. Zhang and Y. Gu, 2004. Kinetics and mechanism of O(3P) reaction with CH3CHF2: A theoretical study. J. Phys. Chem. A, 108: 1064-1068.
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  53. Zhang, Q., Y. Gu and S. Wang, 2003. Theoretical studies on the variational transitional state theory rate constants for the hydrogen abstraction reaction of O(3P) with CH3Cl and CH2Cl2. J. Chem. Phys., 119: 4339-4345.
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  54. Zhang, Q., Y. Gu and S. Wang, 2003. Theoretical investigation on the mechanism and thermal rate constants for the reaction of atomic O(3P) with CHF2Cl. J. Phys. Chem. A, 107: 3069-3075.
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  55. Zhang, Q., Y. Gu and S. Wang, 2003. Theoretical investigation of the kinetics for the reactions of atomic hydrogen with GeH(4-n)Cln (n = 0, 1, 2, 3). J. Phys. Chem. A, 107: 3884-3890.
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  56. Zhang, Q., Y. Gu and S. Wang, 2003. Mechanism and interpolated variational transition state rate constant for the reaction of atomic H with monoethylsilane. J. Phys. Chem. A, 107: 8295-8301.
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  57. Zhang, Q., Y. Gu and S. Wang, 2003. Kinetic and mechanistic studies on the abstraction reactions of atomic O(3P) with (CH3)2SiH2 and (CH3)3SiH. J. Chem. Phys., 118: 633-642.
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  58. Zhang, Q., Y. Gu and S. Wang, 2003. Ab initio mechanism and thermal rate constants for the reaction of atomic H with Ge2H6. New J. Chem., 27: 289-294.
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  59. Zhang, Q., S. Wang and Y. Gu, 2003. A theoretical investigation on the mechanism and kinetics for the reaction of atomic O(3P) with CH3CHCl2. J. Chem. Phys., 119: 11172-11179.
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  60. Zhang, Q., S. Wang and Y. Gu, 2003. A theoretical investigation on the mechanism and kinetics for the reaction of SiH2Cl2 with atomic O(3P). Chem. Phys. Lett., 369: 145-151.
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  61. Zhang, Q., S. Wang, J. Zhou and Y. Gu, 2002. Ab initio and kinetic calculation for the abstraction reaction of atomic O(3P) with Si2H6. Chem. Phys. Lett., 354: 291-297.
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  62. Zhang, Q., S. Wang, J. Zhou and Y. Gu, 2002. Ab initio and kinetic calculation for the abstraction reaction of atomic O(3P) with SiH4. J. Phys. Chem. A, 106: 115-121.
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  63. Zhang, Q., S. Wang and Y. Gu, 2002. Theoretical investigation of the kinetics for the reactions of H with GeH(4-n)Fn (n = 0, 1, 2, 3). J. Phys. Chem. A, 106: 9071-9077.
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  64. Zhang, Q., S. Wang and Y. Gu, 2002. Direct ab initio dynamics studies of the reactions of H with SiH4-nCln (n = 1-3). J. Phys. Chem. A, 106: 3796-3803.
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  65. Zhang, Q., S. Wang and Y. Gu, 2002. Direct ab initio and kinetic calculation for the abstraction reaction of atomic O(3P) with CH3 Br. Chem. Phys. Lett., 352: 521-528.
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  66. Zhang, Q., D. Zhang, S. Wang and Y. Gu, 2002. Ab initio and kinetic calculations for the reactions of H with (CH3)(4-n)GeHn (n = 1, 2, 3, 4). J. Phys. Chem. A, 106: 122-129.
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  67. Zhang, Q., S. Wang, C. Wang and Y. Gu, 2001. Ab initio and kinetic calculations for the reactions of H with SiH(4-n)Fn (n = 1-3). Phys. Chem. Chem. Phys., 3: 4280-4285.
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