Hi, I am Qingzhu Zhang, My LiveDNA is 86.9250
 
   
  Home
 
 
 
Dr. Qingzhu Zhang
 
Highest Degree: Ph.D. in Chemistry from Shandong University, China
 
Institute: Shandong University, China
 
Area of Interest: Chemistry
  •   Quantum-Chemical Calculations
  •   Molecular Simulation
  •   Secondary Organic Aerosol
  •   Microbial Degradation
 
URL: http://livedna.org/86.9250
 
My SELECTED Publications
1:   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.
CrossRef  |  Direct Link  |  
2:   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.
CrossRef  |  Direct Link  |  
3:   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.
CrossRef  |  Direct Link  |  
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.
CrossRef  |  Direct Link  |  
5:   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.
CrossRef  |  Direct Link  |  
6:   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.
CrossRef  |  Direct Link  |  
7:   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.
CrossRef  |  Direct Link  |  
8:   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.
CrossRef  |  Direct Link  |  
9:   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.
CrossRef  |  Direct Link  |  
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.
CrossRef  |  Direct Link  |  
11:   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.
CrossRef  |  Direct Link  |  
12:   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.
CrossRef  |  Direct Link  |  
13:   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.
CrossRef  |  Direct Link  |  
14:   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.
CrossRef  |  Direct Link  |  
15:   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.
CrossRef  |  Direct Link  |  
16:   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.
CrossRef  |  Direct Link  |  
17:   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.
CrossRef  |  Direct Link  |  
18:   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.
CrossRef  |  Direct Link  |  
19:   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.
CrossRef  |  Direct Link  |  
20:   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.
CrossRef  |  Direct Link  |  
21:   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.
CrossRef  |  Direct Link  |  
22:   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.
CrossRef  |  Direct Link  |  
23:   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.
CrossRef  |  Direct Link  |  
24:   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.
CrossRef  |  Direct Link  |  
25:   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.
CrossRef  |  Direct Link  |  
26:   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.
CrossRef  |  Direct Link  |  
27:   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.
CrossRef  |  Direct Link  |  
28:   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.
CrossRef  |  Direct Link  |  
29:   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.
CrossRef  |  Direct Link  |  
30:   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.
CrossRef  |  Direct Link  |  
31:   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.
CrossRef  |  Direct Link  |  
32:   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.
CrossRef  |  Direct Link  |  
33:   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.
CrossRef  |  Direct Link  |  
34:   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.
CrossRef  |  Direct Link  |  
35:   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.
CrossRef  |  Direct Link  |  
36:   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  |  
37:   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.
CrossRef  |  Direct Link  |  
38:   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.
CrossRef  |  Direct Link  |  
39:   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.
CrossRef  |  Direct Link  |  
40:   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.
CrossRef  |  Direct Link  |  
41:   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.
CrossRef  |  Direct Link  |  
42:   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.
CrossRef  |  Direct Link  |  
43:   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.
CrossRef  |  Direct Link  |  
44:   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.
CrossRef  |  Direct Link  |  
45:   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.
CrossRef  |  Direct Link  |  
46:   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.
CrossRef  |  Direct Link  |  
47:   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.
CrossRef  |  Direct Link  |  
48:   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.
CrossRef  |  Direct Link  |  
49:   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.
CrossRef  |  Direct Link  |  
50:   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.
CrossRef  |  Direct Link  |  
51:   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.
CrossRef  |  Direct Link  |  
52:   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.
CrossRef  |  Direct Link  |  
53:   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.
CrossRef  |  Direct Link  |  
54:   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.
CrossRef  |  Direct Link  |  
55:   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.
CrossRef  |  Direct Link  |  
56:   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.
CrossRef  |  Direct Link  |  
57:   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.
CrossRef  |  Direct Link  |  
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.
CrossRef  |  Direct Link  |  
59:   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.
CrossRef  |  Direct Link  |  
60:   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.
CrossRef  |  Direct Link  |  
61:   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.
CrossRef  |  Direct Link  |  
62:   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.
CrossRef  |  Direct Link  |  
63:   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.
CrossRef  |  Direct Link  |  
64:   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.
CrossRef  |  Direct Link  |  
65:   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.
CrossRef  |  Direct Link  |  
66:   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.
CrossRef  |  Direct Link  |  
67:   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.
CrossRef  |  Direct Link  |  
68:   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.
CrossRef  |  Direct Link  |