Publication List (As of March, 2025: 90 peer-reviewed papers in total including 88 published in SCI journals, with >2200 citations based on Google Scholar; H-index 26; ResearcherID: K-8505-2012)

1.        Li, W.; Wu, M.; Wang, C.; Huang, J.; Yang, J.; Xu, M.; Zhao, L.*; Zhang, F.*; Yang, T.* Unconventional Pathway in the Gas-Phase Formation of 14π-PAHs via the Self-Reaction of Resonantly Stabilized Radical Fulvenallenyl (C7H5•), Chem. Sci., DOI: 10.1039/D5SC00160A, 2025.

2.        Li, D.; Li, D.; Herbinet, O.; Huang, J.; Garcia, G. A.; Arnoux, P.; Tran, L.; Vanhove, G.; Nahon, L.; Hochlaf, M.; Carstensen, H.; Battin-Leclerc, F.; Zhang*, F.; Bourgalais, J.*; Conformational effects in the identification and quantification of ketohydroperoxide in the oxidation of n-pentane, Phys. Chem. Chem. Phys., 27, 1241, 2024.

3.        Xu, M.; Huang, C.; Zhang, Y.; Huang, J.;  Zhao, L.*; Lu, W.*, Pan, Y.; Yang, J.; Zhang, F.*; Cheng, Z.*, Free-Radical Triggered Formation of Dioxins from 2-Chlorophenol Pyrolysis Investigated by Synchrotron Radiation Photoionization Mass Spectrometry, J. Hazard. Mater., 480, 136088, 2024.

4.        Hou, Q.; Wang, Y.; Yao, X.; Zhu, Y.; Wu, X.; Huang, C.; Wu, Y.; Yang, B.; Zhang, F. *; Forward and reverse uncertainty analyses for RRKM/master equation based kinetic predictions: A case study of ethyl with oxygen, Int. J. Chem. Kinet., 56, 622, 2024.

5.        Wu, M.; Liu, Z.; Chu, Z.; Wu, X.; Huang, J.; Yang, J.; Yang, B.; Zhang, F.*； A weight growth route from 2-naphthylmethyl radical to tricyclic aromatics. Proceedings of the Combustion Institute 40, 105535, 2024

6.        Wu, X.; Yao, X.; Xie, B.; Wang, P.; Huo, W.; Zhu, Y.; Hou, Q.; Wu, M.; Wu, Y.; Zhang, F.*；Unraveling the atmospheric oxidation mechanism and kinetics of naphthalene: Insights from theoretical exploration. Chemosphere, 352, 141356, 2024.

7.        Hou, Q.; Li, W.; Huang, J.; Wang, C.; Yang, J.; Serinyel, Z.; Dayma, G.; Pitz, W.; Zhao, L.; Zhang, F.*; A combined theoretical and experimental study of the pyrolysis of pyrrolidine. Combust. Flame, 258, 113063, 2023.

8.        Wu M, Huang J, Wu X, Hou Q, Zhao D, Zhang, F.* ; Reaction Kinetics of CN + Toluene and Its Implication on the Production of Aromatic Nitriles in the Taurus Molecular Cloud and Titan’s Atmosphere. The Astrophysical Journal, 55, 950, 2023.

9.        Niu, S.; Wu, X.; Hou, Q.; Luo, G.; Qu, W.; Zhao, F.; Wang, G.; Zhang, F.*; Theoretical kinetic studies on thermal decomposition of glycerol trinitrate and trimethylolethane trinitrate in the gas and liquid phases. J. Phys. Chem. A, 127, 1283-1292, 2023.

10.     Li, W.; Zhang, Y.-F.; Huang, J.-B.; Wang, C.-Y.; Zhang, F.; Yang, J.-Z.; Zhao, L. A VUV photoionization study on the gas-phase synthesis of the first five-membered carbon ring - C7H6 isomers. Chem. Phys. Lett., 835, 140978, 2023.

11.     Chen, H.; Zhang, R.; Liao, H.; Liu, Z.; Li, Z.; Zhang, F.; Yang, J.; Yang, B. Plasma-assisted low-temperature oxidation of n-butane: A synchrotron photoionization mass spectrometry and kinetic modeling study, App. Energy Combust. Sci., 14, 100134, 2023.

12.     Hou, Q.; Liu, W.; Chu, Z.; Wu, X.; Wu, M.; Liu, Z.; Niu, S.; Zhang, F.*; Exploring the chemistry behind low temperature auto-ignition of isopropyl nitrate in an RCM: An experimental and kinetic modeling study. Proceedings of the Combustion Institute, 39, 425-433, 2023.

13.     Huang, J.; Huang, C.; Hou, Q.; Wu, M.; Wu, X.; Zhang, Y.; Tian, G.; Zhang, F.*; A theoretical study on dissociative photoionization and photoionization cross-sections of a typical ketohydroperoxide in n-butane low-temperature oxidation. Combustion and Flame 257, 112490, 2023.

14.     Wu, X.; Wu, M.; Hou, Q.; Zhang, F.*; Theoretical investigation on the reaction kinetics of NO2 with CH3OH and HCHO under combustion conditions. Proceedings of the Combustion Institute 39, 581-590, 2023.

15.     Huang, C.; Zhou, Z.; Yang, B.; Zhang, F.*; Correlation in quantum chemical calculation and its effect on the uncertainty of theoretically predicted rate coefficients and branching ratios. Combustion and Flame 242, 112189, 2022.

16.     Hou, Q.; Wu, X.; Huang, C.; Liu, Z.; Wu, M.; Zhang, F.*; The reactions of propanal/acetone with hydroperoxyl radicals: A theoretical and modeling study. Combustion and Flame 243, 112018, 2022.

17.     Liu, Z.; Fan, X.; Chen, H.; Hou, Q.; Zhang, F.; Yang, J.; Zhao, L.; Yang, B. Exploring low-temperature oxidation of methacrolein with insights into fuel molecular structure effects. Combustion and Flame 248, 112528, 2022.

18.     Liu, Z.; Fan, X.; Chen, H.; Hou, Q.; Liao, H.; Yang, J.; Zhao, L.; Zhang, F.; Yang, B. Characterization of the low-temperature oxidation chemistry of an unsaturated aldehyde 2-butenal in a Jet-stirred reactor. Proceedings of the Combustion Institute 39, 435-444, 2022.

19.     Chen, B.; Liu, P.; Pelucchi, M.; Guidici, C.; Maffei, L. P.; Faller, S.; Xu, Q.; Huang, J.; Zhang, F.; Huang, C.; Leonhard, K.; Wang, Z.; Mehl, M.; Roberts, W. L.; Faravelli, T.; Pitsch, H. New insights into the oxidation chemistry of pyrrole, an N-containing biomass tar component. Proceedings of the Combustion Institute, 39, 73-84, 2022.

20.     Chen, H.; Zhang, R.; Liao, H.; Zhang, F.; Yang, J.; Yang, B. Kinetic insights into plasma-assisted low-temperature oxidation of propane with synchrotron photoionization mass spectrometry. Proceedings of the Combustion Institute, 39, 5499-5509, 2022.

21.     Wu, X.; Huang, C.; Chai, J.; Zhang, F.*; Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere. The Journal of Physical Chemistry Letters, 36, 8790-8797 , 2021

22.     Huang, J.; Wu, X.; Hou, Q.; Wu, M.; Yang, J.; Zhang, F.*; Molecular Orbital Insight into the Near-Threshold Photoionization Cross Sections of Monocyclic Substituted Aromatic Compounds. Energy & Fuels 35, 14051-14062, 2021.

23.     Huang, J.; Huang, C.; Wu, X.; Hou, Q.; Tian, G.; Yang, J.; Zhang, F.*; Combined experimental and theoretical study on photoionization cross sections of benzonitrile and o/m/p-cyanotoluene. J. Chem. Phys. 154, 244301, 2021.

24.     Wu, X.; Hou, Q.; Huang, J.; Chai, J.; Zhang, F.*; Exploring the OH-initiated reactions of styrene in the atmosphere and the role of van der Waals complex. Chemosphere 282, 231004, 2021.

25.     Liu, Z.; Sun, W.; Hou, Q.; Gao, Y.; Fan, X.; Kang, S.; Liao, H.; Chen, W.; Zhang, F.; Yang, J.; Yang, B. Experimental and kinetic modeling investigation on 2,5-hexanedione oxidation in a jet-stirred reactor. Combustion and Flame 234, 111648, 2021.

26.     Zhao, H.; Liu, S.; Yan, C.; Huang, C.; Qi, Y.; Zhang, F.; Ju, Y. Studies of Ozone-Sensitized Low- and High-Temperature oxidations of Diethyl carbonate. Journal of Physical Chemistry A 125, 1760-1760, 2021.

27.     Hou, Q.; Niu, S.; Huang, C.; Wu, X.; Qu, W.; Zhang, F.*; Decomposition of 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105): From thermodynamics to kinetics International Journal of Chemical Kinetics 53, 242-249, 2020.

28.     Huang, C.; Zhang, P.; Wang, J.; Kang, S.; Zhang, F.; Law, C. K.; Yang, B. Determination of rate constants for a thermoneutral H-abstraction reaction: Allylic hydrogen abstraction from 1,5-hexadiene by allyl radical. Proceedings of the Combustion Institute 38, 861-869, 2020.

29.     Wu, X.; Huang, C.; Niu, S.; Zhang, F.* New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals. Physical Chemistry Chemical Physics, 22, 22279-22288, 2020.

30.     Zhang, F.*; Huang, C.; Wu, X.; Xie, B.; Shen, L. An insight into the reaction kinetics of CH3 + O₂(a¹Δg) and its enhancement effect on methane ignition. Proceedings of the Combustion Institute, 38, 691-698, 2020.

31.     Huang, C.; Li, S.; Wang, J.; Yang, B.; Zhang, F.*; Global uncertainty analysis for the RRKM/master equation modeling of a typical multi-well and multi-channel reaction system. Combustion and Flame 216, 62-71, 2020.

32.     Liao, H.; Kang, S.; Hansen, N.; Zhang, F.; Yang, B. Influence of ozone addition on the low-temperature oxidation of dimethyl ether in a jet-stirred reactor. Combustion and Flame, 214, 277-286, 2020.

33.     Liao, H.; Chen, H.; Liu, Z.; Zhang, R.; Zhang, F.; Yang, B. MBMS study on plasma‐assisted low‐temperature oxidation of n‐heptane and iso‐octane in a flow reactor. International Journal of Chemical Kinetics, 53, 428-429, 2020.

34.     Huang, C.; Zhou, Z.; Li, S.; Tao, T.; Zhang, F.; Hansen, N.; Law, C. K.; Yang, B. From inherent correlation to constrained measurement: Model-assisted calibration in MBMS experiments. Proceedings of the Combustion Institute, 38, 1071-1079, 2020.

35.     Zhao, Q.; Zhang, Y.; Zhang, F.; Huang, Z. Pressure-dependent kinetics on benzoyl radical + O2 and its implications for low temperature oxidation of benzaldehyde. Combustion and Flame, 214, 139-151, 2020.

36.     Zhang, F.*; Huang, C. Pressure-Dependent Kinetics of the Reaction between CH₃OO and OH Focusing on the Product Yield of Methyltrioxide (CH₃OOOH). Journal of Physical Chemistry Letters, 10, 3598-3603, 2019.

37.     Huang, C.; Yang, B.; Zhang, F.*; Calculation of the absolute photoionization cross-sections for C1–C4 Criegee intermediates and vinyl hydroperoxides Journal of Chemical Physics, 150, 164305, 2019.

38.     Zhang, F.*; Huang, C.; Xie, B.; Wu, X. Revisiting the chemical kinetics of CH₃ + O₂ and its impact on methane ignition. Combustional and Flame, 200, 125-134, 2019.

39.     Huang, C.; Yang, B.; Zhang, F.; Tian, G. Quantification of the resonance stabilized C₄H₅ isomers and their reaction with acetylene. Combustiona and Flame, 198, 334-341, 2018.

40.     Xing, L.; Bao, J. L.*; Wang, Z.; Zhang, F.*; Truhlar, D. G.* Degradation of carbonyl hydroperoxides in the atmosphere and in combustion. Journal of American Chemical Society, 139, 15821-15835, 2017.

41.     Zhang, P.; Li, S.; Wang, Y.; Ji, W.; Sun, W.; Yang, B.*; He, X.; Wang, Z.; Law, C. K.; Zhang, F.*; Measurement of reaction rate constants using RCM: A case study of decomposition of dimethyl carbonate to dimethyl ether. Combustion and Flame, 183, 30-38, 2017.

42.     Huang, C.; Yang, B.*; Zhang, F.*; Initiation mechanism of 1,3-butadiene combustion and its effect on soot precursors. Combustion and Flame, 184, 167-175, 2017.

43.     Xing, L.; Zhang, L.; Zhang, F.*; Jiang, J. Theoretical kinetic studies for low temperature oxidation of two typical methylcyclohexyl radicals. Combustion and Flame 182, 216–224, 2017.

44.     Huang, C.; Yang, B.*; Zhang, F.*; Pressure-dependent kinetics on the C₄H₇ potential energy surface and its effect on combustion model predictions. Combust. Flame 181, 100-109, 2017.

45.     Sun, W.; Tao, T.; Zhang, R.; Liao, H.; Huang, C.; Zhang, F.; Zhang, X.; Zhang, Y.; Yang, B.* Experimental and modeling efforts towards a better understanding of the high-temperature combustion kinetics of C3-C5 ethyl esters. Combust. Flame, 185, 173-187, 2017.

46.     Sun, W.; Huang, C.; Tao, T.; Zhang, F.; Li, W.; Hansen, N.; Yang, B.* Exploring the high-temperature kinetics of diethyl carbonate (DEC) under pyrolysis and flame conditions. Combust. Flame, 181, 71-81, 2017.

47.     Xing, L.-L.; Zhang, F.*; Zhang L. -D., Theoretical studies for reaction kinetics of cy-C₆H₁₁CH₂ radical with O₂, Proceedings of Combustion Institute,  36, 179-186, 2016.           

48.     Zhang, F.*; Nicolle, A.; Xing L. –L.; Klippenstein, S.J., Recombination of aromatic radicals with molecular oxygen, Proceedings of Combustion Institute,  36, 169-177, 2016. 

49.     Bian, H.-T.; Wang, Z.-D.; Sun, J.-H.; Zhang, F.*, Conformational inversion-topomerization mechanism of ethylcyclohexyl isomers and its role in combustion kinetics, Proceedings of Combustion Institute, 36, 237-244, 2016.                       

50.     Sun, W.-Y; Yang, B.;* Hansen, N.; Westbrook, C., Zhang, F.; Wang, G.; Moshammer, K.; Law. C. K., An Experimental and Kinetic Modeling Study on Dimethyl Carbonate (DMC) Pyrolysis and Combustion, Combustion and Flame 164, 224-238, 2016. 

51.     Zhao, L.; Cheng, Z.-J; Ye, L.-L; Zhang, F.; Zhang, L.-D., Qi, F.; Li. Y.-Y., Experimental and kinetic modeling study of premixed o-xylene flames, Proceedings of Combustion Institute, 35, 1745-1752, 2016.

52.     Xing, L.-L.; Li, S.; Wang, Z-H.; Yang, B.; Klippenstein, S. J.; Zhang, F.,* Temperature and Pressure Dependent Uncertainty Analysis on RRKM/Master Equation Rate Constants: a Case Study for Ethanol Decomposition, Combustion and Flame 162, 33427-3436, 2015.   

53.     Wang, Z. –D; Bian, H.-T; Wang, Y.; Zhang L.-D.;* Li, Y.-Y.; Zhang F.*; Qi, F., Investigation on Primary Decomposition of Ethylcyclohexane at Atmospheric Pressure, Proc. Combust. Inst. 35, 367-375, 2015.  

54.     Wang, Z.-D; Zhao, L.; Wang, Y.; Bian, H.-T.; Zhang, L.-D.; Zhang, F.; Li, Y.-Y.; Sarathy, S. M.; Qi F.,* Kinetics of Ethylcyclohexane Pyrolysis and Oxidation: An Experimental and Detailed Kinetic Modeling Study, Combust. Flame 162, 2873-2892 (2015). 

55.     Jiao, Y.-G.; Zhang, F.; Dibble T.S.;* A Quantum Chemical Study of Autoignition of Methyl Butanoate, J. Phys. Chem. A, 119, 7282-7292 (2015)

56.     Bian, H.-T.; Wang, Z.-H., Zhang, F.;* Wang, Z.-D., Unimolecular Reaction Properties for the Long Chain Alkenyl Radicals, Int. J. Chem. Kinet. 47, 685-694 (2015).   

57.     Cheng, Z.-J.;, Xing, L.-L.; Zeng, M.-R.; Zhang, F.; Zhang, L.-D.; Qi, F.; Li, Y.-Y.; Experimental and Kinetic Modeling Study of 2,5-Dimethylfuran Pyrolysis at Various Pressures, Combust. Flame 161, 2496-2511 (2014)   

58.     Cai, J.-H.; Yuan, W.-H.; Ye, L.-L.; Cheng, Z.-J.; Wang, Y.-Z.; Dong, W.-L.; Zhang, L.-D.; Li, Y.-Y.; Zhang, F.;* Qi. F.;,* Experimental and Kinetic Modeling Study of i-butanol Pyrolysis and Combustion, Combust. Flame 161, 1955-1971 (2014). 

59.     Wang, Z.-D.; Ye, L.-L.; Yuan, W.-H.; Zhang, L.-D.; Wang, Y.-Z.; Cheng, Z.-J.; Zhang, F.;* Qi, F.;* Experimental and Kinetic Modeling Study on Methylcyclohexane Pyrolysis and Combustion, Combust. Flame 161, 84-100 (2014).  

60.     Wang, Z.-H.; Zhang, Z.-D.; Zhang, F.;* Kinetics of Homoallylic/Homobenzylic Rearrangement Reactions under Combustion Conditions, J. Phys. Chem. A, 118, 6741-6748 (2014).     

61.     Wang, Z.-D.; Li, Y.-Y.; Zhang, F.; Zhang, L.-D.; Yuan, W.-H.; Wang, Y.-Z.; Qi, F.;* An Experimental and Kinetic Modeling Investigation on a Rich Premixed n-propylbenzene Flame at Low Pressure, Proc. Combust. Inst. 34, 1785-1793 (2013).    

62.     Zhang, K.-W.; Zhang, L.-D.; Xie, M-F.; Ye, L.-L.; Zhang, F.; Glarborg, P.;*, Qi, F.,* An Experimental and Kinetic Modeling Study of Premixed Nitroethane Flames at Low Pressure, Proc. Combust. Inst. 34, 617-624 (2013).

63.     Lucassen, A.; Wang, Z.-D.; Zhang, L.-D.; Zhang, F.; Yuan, W.-H.; Wang, Y.-Z.; Qi, F.;*, Kohse-Höinghaus, K.,* An Experimental and Theoretical Study of Pyrrolidine Pyrolysis at Low Pressure, Proc. Combust. Inst. 34, 641-648 (2013).  

64.     Cai, J.-H.; Yuan, W.-H.; Ye, L.-L; Cheng, Z.-J.; Wang, Y.-Z.; Zhang, L.-D.; Zhang, F.; Li, Y.-Y.; Qi, F.,* Experimental and Kinetic Modeling Study of 2-butanol Pyrolysis and Combustion, Combust. Flame 160, 1939-1957 (2013). 

65.     Jia, L.-Y.; Yang, J.-Z.; Zhang, L.-D.; Zhang, F.;* Qi, F.;* Fan, H.-Y.; Cai, J.-B., Experimental and Theoretical Studies of Pyrolysis of  Chrysophanol and its Derivatives, J. Anal. Appl. Pyro. 100, 237-244 (2013).                                                           

66.     Zhang, F.;* Wang, Z.-D.; Wang, Z.-H.; Zhang, L.-D.; Li, Y.-Y.; Qi, F., Kinetics of Decomposition and Isomerization of Methylcyclohexane: Starting Point for Studying Monoalkylated Cyclohexanes Combustion, Energy&Fuels 27, 1679-1687 (2013).                                                  

67.     Wang, Z.-D.; Cheng, Z.-J.; Yuan, W.-H.; Cai, J.-H.; Zhang, L.-D.; Zhang, F.; Qi, F.*, Wang, J., An Experimental and Kinetic Modeling Study of Cyclohexane Pyrolysis at Low Pressure, Combust. Flame 159, 2243-2253 (2012).    

68.     Dibble, T. S.*; Sha, Y.; Thornton, W. F.; Zhang, F., Cis-Trans Isomerization of Chemically Activated 1-Methylallyl Radical and Fate of the Resulting 2-Buten-1-peroxy Radical, J. Phys. Chem. A 116, 7603-7614 (2012).

69.     Cai, J.-H.; Zhang, L.-D.; Zhang, F.; Wang, Z.-D.; Cheng, Z.-J.; Yuan, W.-H.; Qi, F.*, A Comprehensive Experimental and Kinetic Modeling Study of n-butanol Pyrolysis and Combustion, Energy&Fuels 26, 5550-5568 (2012).

70.     Yang, J.-Z.; Zhang, F.; Jia, L.-Y.; Zhang, L.-D.;* Qi, F.; Fan, H.-Y.; Cai, J.-B., Experimental and Theoretical Study on Pyrolysis of Isopsoralen, Chin. J. Chem. Phys. 25, 249-253 (2012).

71.     Ye, L.-L.; Zhang, F.; Zhang, L.-D.;*, Qi F., Theoretical Studies on the Unimolecular Decomposition of Propanediols and Glycerol, J. Phys. Chem. A 116, 4457-4465 (2012).                                                          

72.     Zhao, L.; Ye, L.-L.; Zhang, F.;* Zhang, L.-D.,* Thermal Decompostion of 1-pentanol and its Isomers: a Theoretical study, J. Phys. Chem. A 116, 9238-9244 (2012). 

73.     Zhang, F.; Dibble, T. S.;* Effects of olefin functional group and its position on kinetics of unimolecular reactions of peroxy radicals, J. Phys. Chem. A 115, 655-663 (2011).                                                  

74.     Zhang, F.; Dibble, T. S.;* Impact of Tunneling Effect on Hydrogen-migration of n-propyl Peroxy Radical, Phys. Chem. Chem. Phys. 13, 17969-17977 (2011). (cover article)                                

75.     Ai, Y.-J.; Zhang, F.; Fang, W.-H.;* Luo, Y.;* Importance of the Intra-hydrogen Bonding on the Photochemistry of Anionic Hydroquinone (FADH-) in DNA Photolyase, J. Phys. Chem. Lett. 1, 743-747 (2010). 

76.     Cui, G.-L.; Zhang, F.; Fang, W.-H.;* Insights into the Mechanistic Photodissociation of Methyl Formate, J. Chem. Phys. 132, 034306 (2010).                                         

77.     Zhang, F.; Ai, Y.-J.; Luo, Y.;* Fang, W.-H.,* Nonadiabatic Histidine Dissociation of Hexacoordinate Heme in Neuroglobin Protein, J. Phys. Chem. A. 114,1980-1984 (2010).                                                                                                                                           

78.     Ai, Y.-J.; Zhang, F.; Fang, W.-H.*; Luo, Y.* Ultrafast Deactivation Processes in the 2-Aminopyridine Dimer and the A-T Base Pair: Similarities and Differences, J. Chem. Phys. 133, 064302 (2010).                   

79.     Zhang, F.; Fang, W.-H.;* Luo, Y.,* A multi-dimensional microcanonical Monte Carlo study of S-0 -> T-1 intersystem crossing of isocyanic acid, Sci. China, Ser. B-Chem., 52, 1885-1891 ( 2009).   

80.     Zhang, F.; Ai, Y.-J.; Fang, W.-H.;* Luo, Y.,* Nonradiative decay of the lowest excited singlet state of 2-aminopyridine is considerably faster than the radiative decay, J. Chem. Phys., 130, 144315 (2009)            

81.     Fang, Q.; Zhang, F.; Fang, W.-H.;* Luo, Y.,* Photodissociation of Phosgene: Theoretical Evidence for the Ultrafast and Asynchronous Concerted Three-Body Process, J. Chem. Phys. 131, 164306 (2009). 

82.     Cui, G.-L.; Li, Q.-S.; Zhang, F.; Fang, W.-H.;* Yu, J.-G.,* Combined CASSCF and MR-CI Study on Photoinduced Dissociation and Isomerization of Acryloyl Cholorid, J. Phys. Chem. A 110, 11839-11846 (2006).

83.     Zhang, F.; Ding, W.-J.; Fang, W.-H.*, Combined nonadiabatic transition-state theory and ab initio molecular dynamics study on selectivity of the alpha and beta bond fissions in photodissociation of bromoacetyl chloride, J. Chem. Phys. 125, 184305 (2006).

84.     Li, Q.-S.; Zhang, F.; Fang, W.-H.;* Yu, J.-G., Probing  Mechanistic Photochemistry of Glyoxal in the Gas Phase by ab initio  Calculations  of  Potential-energy Surfaces and Adiabatic and Nonadiabatic Rates, J. Chem. Phys.124, 054324 (2006).                     

85.     Fang, W.-H.;* Zhang, F.; Li, Q.-S.; Chen, S.-L., Probing  Mechanistic Photodissociation of Carbonyl Compounds from ab Initio Calculations, Molecular Dynamics Simulations, and non-Adiabatic Rates, Trends in Chemical Physics 13, 1-27 (2006).

86.     Li, J.; Zhang, F.; Fang, W.-H.,* Probing Photophysical and Photochemical Processes of Benzoic Acid from ab initio Calculations, J. Phys. Chem. A 109, 7718-7724 (2005).          

87.     Lin, L.; Zhang, F.; Fang, W.-H.,* Striving to Understand the Photophysics and Photochemistry of Thiophosgene: A Combined CASSCF and MR-CI Study, J. Phys. Chem. A 109, 554-561 (2005).                                                                

88.     Zhang, F.; Lin, L.; Fang, W.-H.,* Insights into Dynamics of the S2 State of Thiophosgene from ab Initio Calculations, J. Chem. Phys. 121, 6830-6834 (2004).