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Dr. Qingzhu Zhang |
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Highest Degree: |
Ph.D. in Chemistry from Shandong University, China |
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Institute: |
Shandong University, China |
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Area of Interest: |
Chemistry
• Quantum-Chemical Calculations
• Molecular Simulation
• Secondary Organic Aerosol
• Microbial Degradation |
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URL: |
http://livedna.org/86.9250 |
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My SELECTED Publications |
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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 (C 4F 9SO 2N(CH 3)CH 2CH 2OH). 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 NO 3 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 HN 3 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 NO 3-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 NO 3 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 O 2 and NO x: 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 NO 3-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 NO 3-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 EtSiH 3 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 (CH 3) (4-n)GeH n ( 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 CH 3CH 2 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 CH 3CHF 2: 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-C 3N 4 formation: Kinetics for the reaction of CH 3NH 2 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 CH 3 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 SiH 4-nCl n ( 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)F n ( 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 SiH 2Cl2 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 CH 3CHCl 2. 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)F n ( 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 SiH 4. 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 Si 2H 6. 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 Ge 2H 6. 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 (CH 3) 2SiH 2 and (CH 3) 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)Cl n ( 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 CHF 2Cl. 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 CH 3Cl and CH 2Cl 2. 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 SiHCl 3 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 CH 2FCl. 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 O 2 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 (C 2H 5O) 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 | |
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