2022

• The reactions of propanal/acetone with hydroperoxyl radicals: A theoretical and modeling study.
  Qifeng Hou, Xiaoqing Wu, Can Huang, Zhongkai Liu, Mengqi Wu, Feng Zhang*
  Combust. Flame (2022) DOI:10.1016/j.combustflame.2022.112018
  
• Correlation in quantum chemical calculation and its effect on the uncertainty of theoretically predicted rate coefficients and branching ratios
  Can Huang, Zijun Zhou, Bin Yang*, Feng Zhang*
  Combust. Flame (2022) 242, 112189 DOI: 10.1016/j.combustflame.2022.112189
  

2021

• Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere
  Xiaoqing Wu, Can Huang, Jiajue Chai and Feng Zhang*
  J. Phys. Chem. Lett. 2021, 12, 36, 8790–8797 DOI: 10.1021/acs.jpclett.1c02503
  

• Molecular Orbital Insight into the Near-Threshold Photoionization Cross Sections of Monocyclic Substituted Aromatic Compounds
  Jiabin Huang, Xiaoqing Wu, Qifeng Hou, Mengqi Wu, Jiuzhong Yang* and Feng Zhang*
  Energy & Fuels 154, 244301 (2021) DOI: 10.1021/acs.energyfuels.1c01867

• Combined Experimental and Theoretical Study on Photoionization Cross Sections of Benzonitrile and o/m/p-Cyanotoluene
  Jiabin Huang, Can Huang, Xiaoqing Wu, Qifeng Hou, Guangjun Tian, Jiuzhong Yang* and Feng Zhang*
  J. Chem. Phys. 154, 244301 (2021) DOI: 10.26434/chemrxiv.14676096
  

• Exploring the OH-initiated reactions of styrene in the atmosphere and the role of Van der Waals complex
  Xiaoqing Wu, Qifeng Hou, Jiabin Huang, Jiajue Chai and Feng Zhang*
  Chemosphere. 2021, 131004. DOI: 10.1016/j.chemosphere.2021.131004
  

2020

• New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals
  Xiaoqing Wu, Can Huang, Shiyao Niu and Feng Zhang*
  Phys. Chem. Chem. Phys. 2020, 22, 22279-22288 DOI:10.1039/D0CP02984J

• An insight into the reaction kinetics of CH3 + O2 (a 1△g ) and its enhancement effect on methane ignition
  Feng Zhang*, Can Huang, Xiaoqing Wu, Binbin Xie, Lin Shen
  Proc. Combust. Inst. 000 (2020) 1-8 DOI:10.1016/j.proci.2020.07.121

• Determination of rate constants for a thermoneutral H-abstraction reaction: Allylic hydrogen abstraction from 1,5-hexadiene by allyl radical
  Can Huang, Peng Zhang, Jianxing Wang, Shiqing Kang, Feng Zhang*, Chung K. Law, Bin Yang*
  Proc. Combust. Inst. 000 (2020) DOI:10.1016/j.proci.2020.07.054

• Decomposition of 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105): From thermodynamics to kinetics
  Qifeng Hou, Shiyao Niu, Can Huang, Xiaoqing Wu, Wenggang Qu, Feng Zhang*
  Int. J. Chem. Kinet. 2021, 53(2): 242-249 DOI:10.1002/kin.21437

• Global uncertainty analysis for the RRKM/master equation modeling of a typical multi-well and multi-channel reaction system
  Can Huang, Shuang Li, Jiaxing Wang, Bin Yang*, Feng Zhang*
  Combust. Flame216, 62-71 (2020) DOI:10.1016/j.combustflame.2020.01.039

2019

• Pressure-dependent Kinetics of the Reaction between CH3OO and OH Focusing on the Product Yield of Methyltrioxide (CH3OOOH)
  Feng Zhang* and Can Huang
  J. Phys. Chem. Lett.2019,10,13,3598-3603 DOI:pubs.acs.org/doi/10.1021/acs.jpclett.9b00781
  
• Calculation of the absolute photoionization cross-sections for C1–C4 Criegee intermediates and vinyl hydroperoxides
  Can Huang, Bin Yang*, Feng Zhang*
  J. Chem. Phys. 150, 164305 (2019) DOI:10.1063/1.5088408
  
• Revisiting the chemical kinetics of CH3 + O2 and its impact on methane ignition
  Feng Zhang*, Can Huang, Binbin Xie, Xiaoqing Wu
  Combust. Flame125-134, (2019.2) DOI: 10.1016/j.combustflame.2018.11.014

2018

• Quantification of the resonance stabilized C4H5 isomers and their reaction with acetylene
  Can Huang, Bin Yang*, Feng Zhang*, G. Tian
  Combust. Flame198 334-341, (2018.10) DOI: 10.1016/j.combustflame.2018.09.024

2017

• Theoretical kinetic studies for low temperature oxidation of two typical methylcyclohexyl radicals
  Lili Xing , L.D. Zhang , F. Zhang *, Jun Jiang
  Combust and Flame182, 216-224 (2017). DOI: 10.1016/j.combustflame.2017.03.025
• Exploring the high-temperature kinetics of diethyl carbonate (DEC) under pyrolysis and flame conditions
  Wenyu Sun , Can Huang , Tao Tao , F. Zhang , Wei Li , Nils Hansen , Bin Yang *
  Combustion and Flame181, 71-81 (2017). DOI: 10.1016/j.combustflame.2017.03.009
• Pressure-dependent kinetics on the C4H7 potential energy surface and its effect on combustion model predictions
  Can Huang , Bin Yang *, F. Zhang *
  Combust and Flame181, 100-109 (2017). DOI: 10.1016/j.combustflame.2017.01.031
• Initiation mechanism of 1,3-butadiene combustion and its effect on soot precursors
  Can Huang , Bin Yang *, F. Zhang *
  Combustion and Flame184, 167-175 (2017). DOI: 10.1016/j.combustflame.2017.06.003
• Measurement of reaction rate constants using RCM: A case study of decomposition of dimethyl carbonate to dimethyl ether
  P. Zhang , S. Li , Yingdi Wang , Weiqi Ji , Wenyu Sun , Bin Yang *, Xin He , Zhi Wang , Chung K. Law , F. Zhang *
  Combustion and Flame183, 30-38 (2017). DOI: 10.1016/j.combustflame.2017.05.006
• Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion
  Lili Xing , Junwei Lucas Bao *, Z. D. Wang , F. Zhang *, Donald G. Truhlar *
  Journal of the American Chemical Society139, 15821-15835 (2017). DOI: 10.1021/jacs.7b08297

2016

• An Experimental and Kinetic Modeling Study on Dimethyl Carbonate (DMC) Pyrolysis and Combustion
  Wenyu Sun , Bin Yang *, Nils Hansen , Charles Westbrook , F. Zhang , Gao Wang , Kai Moshammer , C. K. Law
  Combust and Flame164, 224-238 (2016). DOI: 10.1016/j.combustflame.2015.11.019
• Recombination of aromatic radicals with molecular oxygen
  F. Zhang *, André Nicolle , Lili Xing , Stephen J. Klippenstein
  Proceedings of the Combustion Institute36, 169-177 (2016). DOI: 10.1016/j.proci.2016.06.021
• Conformational inversion-topomerization mechanism of ethylcyclohexyl isomers and its role in combustion kinetics
  Huiting Bian , Z. D. Wang , Jinhua Sun *, F. Zhang *
  Proceedings of the Combustion Institute36, 237-244 (2016). DOI: 10.1016/j.proci.2016.07.049
• Theoretical studies for reaction kinetics of cy-C6H11CH2 radical with O2
  Lili Xing , F. Zhang *, L.D. Zhang *
  Proceedings of the Combustion Institute36, 179-186 (2016).

2015

• A Quantum Chemical Study of Autoignition of Methyl Butanoate
  Yuge Jiao , F. Zhang , Theodore S. Dibble *
  Journal of Chemical Physics119, 7282-7292 (2015). DOI: 10.1021/jp5122118
• Unimolecular Reaction Properties for the Long Chain Alkenyl Radicals
  Huiting Bian , Zhaohui Wang , F. Zhang *, Z.D.Wang
  Int. J. Chem. Kinet47, 685-694 (2015). DOI: 10.1002/kin.20941
• Investigation on Primary Decomposition of Ethylcyclohexane at Atmospheric Pressure
  Z.D.Wang , Huiting Bian , Yu Wang , L.D. Zhang , Yuyang Li , F. Zhang *, Fei Qi
  Proceedings of the Combustion Institute35, 367-375 (2015). DOI: 10.1016/j.proci.2014.05.119
• Global uncertainty analysis for RRKM/master equation based kinetic predictions: A case study of ethanol decomposition
  L. L. Xing , S. Li , Z. H. Wang , B. Yang , S. J. Klippenstein , F. Zhang *
  Combustion and Flame162, 3427-3436 (2015). DOI: 10.1016/j.combustflame.2015.06.006
• Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study
  Z. D. Wang , L. Zhao , Y. Wang , L. D. Zhang , F. Zhang , Y. Y. Li , S. Mani Sarathy , F. Qi *
  Combustion and Flame162, 2873-2892 (2015).
• Experimental and kinetic modeling study of premixed o-xylene flames
  L. Zhao , Z. J. Cheng , L. L. Ye , F. Zhang , L. D. Zhang , F. Qi , Y. Y. Li *
  Proceedings of the Combustion Institute35, 1745-1752 (2015). DOI: 10.1016/j.combustflame.2015.03.017

2014

• Experimental and kinetic modeling study of i-butanol pyrolysis and combustion
  J. H. Cai , W. H. Yuan , L. L. Ye , Z. J. Cheng , Y. Z. Wang , W. L. Dong , L. D. Zhang , Y. Y. Li , F. Zhang *, F. Qi *
  Combustion and Flame161, 1955-1971 (2014). DOI: 10.1002/kin.21028
• Kinetics of homoallylic/homobenzylic rearrangement reactions under combustion conditions
  Z. H. Wang , L. D. Zhang , F. Zhang *
  Journal of Physical ChemistryA 118, 6741-6748 (2014). DOI: 10.1021/jp503325p
• Experimental and kinetic modeling study of 2,5-dimethylfuran pyrolysis at various pressures
  Z. J. Cheng , L. L. Xing , M. R. Zeng , W. L. Dong , F. Zhang , F. Qi , Y. Y. Li *
  Combustion and Flame161, 2496-2511 (2014).
• Experimental and kinetic modeling study on methylcyclohexane pyrolysis and combustion
  Z. D. Wang , L. L. Ye , W. H. Yuan , L. D. Zhang , Y. Z. Wang , Z. J. Cheng , F. Zhang *, F. Qi *
  Combustion and Flame161, 84-100 (2014). DOI: 10.1016/j.combustflame.2013.08.011

2013 and earlier

• Experimental and kinetic modeling study of 2-butanol pyrolysis and combustion
  J. H. Cai , W. H. Yuan , L. L. Ye , Z. J. Cheng , Y. Z. Wang , L. D. Zhang , F. Zhang , Y. Y. Li , F. Qi *
  Combustion and Flame160, 1939-1957 (2013).
• An experimental and theoretical study of pyrrolidine pyrolysis at low pressure
  A. Lucassen , Z. D. Wang , L. D. Zhang , F. Zhang , W. H. Yuan , Y. Z. Wang , F. Qi *, K. Kohse-Höinghaus *
  Proceedings of the Combustion Institute34, 641-648 (2013). DOI: 10.1016/j.proci.2012.05.001
• Kinetics of decomposition and isomerization of methylcyclohexane: starting point for studying monoalkylated cyclohexanes combustion
  F. Zhang *, Z. D. Wang , Z. H. Wang , L. D. Zhang , Y. Y. Li , F. Qi
  Energy & Fuels27, 1679-1687 (2013). DOI: 10.1021/ef302097s
• Experimental and theoretical studies of pyrolysis of chrysophanol and its derivatives
  L. Y. Jia , J. Z. Yang , L. D. Zhang , F. Zhang *, F. Qi , H. Y. Fan , J. B. Cai
  Journal of Analytical and Applied Pyrolysis100, 237-244 (2013).
• An experimental and kinetic modeling study of premixed nitroethane flames at low pressure
  K. W. Zhang , L. D. Zhang , M. F. Xie , L. L. Ye , F. Zhang , P. Glarborg *, F. Qi *
  Proceedings of the Combustion Institute34, 617-624 (2013).
• An experimental and kinetic modeling investigation on a rich premixed n-propylbenzene flame at low pressure
  Z. D. Wang , Y. Y. Li , F. Zhang , L. D. Zhang , W. H. Yuan , Y. Z. Wang , F. Qi *
  Proceedings of the Combustion Institute34, 1785-1793 (2013). DOI: 10.1016/j.proci.2012.05.006
• 燃烧反应动力学研究进展与展望
  齐飞 *, 李玉阳 , 曾美容 , 张凤
  中国科学技术大学学报 43, 948-958 (2013).
• Thermal decomposition of 1‑pentanol and its isomers: A theoretical study
  L. Zhao , L. L. Ye , F. Zhang , L. D. Zhang
  Journal of Physical Chemistry A116, 9238-9244 (2012). DOI: 10.1021/jp305885s
• An experimental and kinetic modeling study of cyclohexane pyrolysis at low pressure
  Z. D. Wang , Z. J. Cheng , W. H. Yuan , J. H. Cai , F. Zhang , F. Qi *, J. Wang
  Combustion and Flame159, 2243-2253 (2012).
• Cis-Trans Isomerization of Chemically Activated 1-Methylallyl Radical and Fate of the Resulting 2-Buten-1-peroxy Radical
  Theodore S. Dibble *, Yuan Sha , William F. Thornton , F. Zhang
  Journal of Physical Chemistry A116, 7603-7614 (2012). DOI: 10.1021/jp303652x
• Experimental and theoretical study on pyrolysis of isopsoralen
  J. Z. Yang , F. Zhang , L. Y. Jia , L. D. Zhang , F. Qi , H. Y. Fan , J. H. Cai *
  Chinese Journal of Chemical Physics25, 249-253 (2012). DOI: 10.1088/1674-0068/25/03/249-253
• Experimental and kinetic modeling study of n‑butanol pyrolysis and combustion
  J. H. Cai , L. D. Zhang , F. Zhang , Z. D. Wang , Z. J. Cheng , W. H. Yuan , F. Qi *
  Energy & Fuels26, 5550-5568 (2012).
• Theoretical studies on the unimolecular decomposition of propanediols and glycerol
  L. L. Ye , F. Zhang , L. D. Zhang *, F. Qi
  Journal of Physical Chemistry A116, 4457-4465 (2012). DOI: 10.1021/jp301424k
• Impact of Tunneling Effect on Hydrogen-migration of n-propyl Peroxy Radical
  F. Zhang , Theodore S. Dibble *
  Physical Chemistry Chemical Physics13, 17969-17977 (2011).
• Effects of olefin functional group and its position on kinetics of unimolecular reactions of peroxy radicals
  F. Zhang , Theodore S. Dibble *
  Journal of Physical Chemistry A115, 655-663 (2011).
• Insights into the Mechanistic Photodissociation of Methyl Formate
  Ganglong Cui , F. Zhang , Wei-Hai Fang *
  Journal of Chemical Physics132, 34306 (2010).
• Nonadiabatic histidine dissociation of hexacoordinate heme in neuroglobin protein
  Feng Zhang, Yue-Jie Ai, Yi Luo*, Wei-Hai Fang*
  Phys. Chem. A, 114,1980-1984 (2010) DOI: 10.1021/jp909887d
• Ultrafast Deactivation Processes in the 2-Aminopyridine Dimer and the A-T Base Pair: Similarities and Differences
  Yuejie Ai, Feng Zhang, Weihai Fang*, Yi Luo*
  J. Chem. Phys.133, 64302 (2010) DOI: 10.1063/1.3464485
• Nonradiative decay of the lowest excited singlet state of 2-aminopyridine is considerably faster than the radiative decay
  Feng Zhang, Yue-Jie Ai, Yi Luo*, Wei-Hai Fang*
  J. Chem. Phys.130, 144315(2009) DOI: 10.1063/1.3113664
• Photodissociation of Phosgene: Theoretical Evidence for the Ultrafast and Asynchronous Concerted Three-Body Process
  Qiu Fang, Feng Zhang, Weihai Fang*, Yi Luo*
  J. Chem. Phys.131, 164306(2009) DOI: 10.1063/1.3253048
• Combined CASSCF and MR-CI Study on Photoinduced Dissociation and Isomerization of Acryloyl Cholorid
  Ganglong Cui , Quansong Li , F. Zhang , Wei-Hai Fang *, Jiangguo Yu *
  Journal of Physical Chemistry A110, 11839-11846 (2006). DOI: 10.1021/jp063457p
• Probing Mechanistic Photochemistry of Glyoxal in the Gas Phase by ab initio Calculations of Potential-energy Surfaces and Adiabatic and Nonadiabatic Rates
  Quansong Li , F. Zhang , Wei-Hai Fang *, Jiangguo Yu
  Journal of Chemical Physics124, 54324 (2006). DOI: 10.1063/1.2165179
• Probing Mechanistic Photodissociation of Carbonyl Compounds from ab Initio Calculations, Molecular Dynamics Simulations, and non-Adiabatic Rates
  Wei-Hai Fang *, F. Zhang , Quansong Li , Shilv Chen
  Trends in Chemical Physics13, 1-27 (2006).
• Combined Nonadiabatic Transition-state Theory and ab initio Molecular Dynamics Study on Selectivity of the α and β Bond Fissions in Photodissociation of Bromoacetyl Choloride(2006)
  Feng Zhang, Wai-Jian Ding, Wei-Hai Fang*
  J. Chem. Phys.125, 184305
• Striving to Understand the Photophysics and Photochemistry of Thiophosgene: A Combined CASSCF and MR-CI Study
  Ling Lin , F. Zhang , Wei-Hai Fang *
  Journal of Physical Chemistry A109, 554-561 (2005). DOI: 10.1021/jp046000t
• Probing Photophysical and Photochemical Processes of Benzoic Acid from ab initio Calculations
  Juan Li , F. Zhang , Wei-Hai Fang *
  Journal of Physical Chemistry A109, 7718-7724 (2005). DOI: 10.1021/jp052837s
• Insights into Dynamics of the S2 State of Thiophosgene from ab Initio Calculations
  F. Zhang , Ling Lin , Wei-Hai Fang *
  Journal of Chemical Physics121, 6830-6834 (2004). DOI: 10.1063/1.1791553