研究成果

1.X. Zhang,L. Li,J. Chen,S. Liu,D. Zhang, Feshbach resonances in the F+H2O→HF+OH reaction, Nature communications, 11, 2020, 1-5.

2.H. Zhao, X. Hu, D. Xie, Z. Sun, Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates, Journal of chemical physics,149, 2019, 174103-1~174103-16.

3.D. Yuan, Y. Guan, Wentao Chen, H. Zhao,S. Yu, Chang Luo, Yuxin Tan, Ting Xie,X. Wang,Z.Sun, D. Zhang,X. Yang, Observation of the geometric phase effect in the H+HD→H2+D reaction, Science, 362, 2019, 1289-1293.

4.H.Shi, Z.Sun, G.Guang, Numerical Convergence of the Sinc Discrete Variable Representation forSolving Molecular Vibrational States with a Conical Intersection inAdiabatic Representation, Chinese journal of chemical physics, 32, 2019, 333-342.

5.H. Zhao, Umair Umer, X. Hu, D. Xie, Z. Sun,An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings, Journal of chemical physics, 150, 2019, 134105-1~134105-8.

6.W. Hu,Y. Liu,S.Luo,X. Li, J. Yu, X. Li, Z. Sun, K. Yuan, A. D. Bandrauk, D. Ding,Coherent interference of molecular electronic states in NO by two-color femtosecond laser pulses, Physical reviewA, 99, 2019, 011402-1~011402-6.

7.T. Liu,B. Fu,D. Zhang, Six-dimensional potential energy surfaces for the dissociative chemisorption of HCl on rigid Ag(100) and Ag(110) surfaces, Journal of chemical physics, 151, 2019, 144707-1~144707-9.

8.X. Lu,X. Wang,B. Fu,D. Zhang, Theoretical Investigations of Rate Coefficients of H + H2O2→OH+H2O on a Full-Dimensional Potential Energy Surface, Journal of physical chemistry A, 123, 2019, 3969-3976.

9.Y. Liu,W.Hu,S.Luo,K.Yuan, Z. Sun,A.D.Bandrauk,D.Ding,Vibrationally resolved above-threshold ionization in NO molecules by intense ultrafast two-color laser pulses:An experimental and theoretical study, Physical review A,100, 2019, 023404-1~023404-16.

10.X. Xu,J. Chen,S. Liu,D. Zhang, An Ab Initio-Based Global Potential Energy Surface for the SH3 System and Full-Dimensional State-To-State Quantum Dynamics Study for the H2+HS→ H2S+H Reaction, Journal of computational chemistry, 40, 2019, 1151-1160.

11.X. Li,Z. Sun,Quantum real wave packet method by using spectral difference for a triatomic reactive scattering, Chemical physics, 509, 2018, 20-29.

12.X. Li,Z. Sun,Dynamical resonances in F+H2/HD reaction scattering, Theoretical chemistry accounts, 137, 2018.

13.W. Li, J. Yuan, M.Yuan, Y.Zhang, M.Yao, Z. Sun,A new potential energy surface of the OH2+system and state-to-state quantum dynamics studies of the O++H2reaction,Physical chemistry chemical physics,20, 2018, 1039-1050.

14.D.Yuan, S.Yu, W.Chen,J.Sang, C.Luo,T. Wang,X. Xu, P.Casavecchia, X. Wang, Z. Sun,D. Zhang,X. Yang, Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction, Nature chemistry, 10, 2018, 653-658.

15.X. Lu,Q. Meng,X. Wang,B. Fu,D. Zhang, Rate coefficients of the H+H2O2→H2+HO2reaction on an accurate fundamental invariant-neural network potential energy surface, Journal of chemical physics, 149, 2018, 174303-1~174303-7.

16.X. Lu,K. Shao,B. Fu,X. Wang,D. Zhang, An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H+H2O2two-channel reaction, Physical chemistry chemical physics, 20 2018 23095-23105

17.B. Fu,D. Zhang, Ab lnitio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions 14 5 2018 2289-2303, Journal of chemical theory and computation, 14, 2018, 2289-2303

18.T. Liu,J. Chen,Z. Zhang,X. Shen,B. Fu,D. Zhang, Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface, Journal of chemical physics, 148, 2018, 144705-1~144705-8

19.T. Liu,B. Fu,D. Zhang, Six-dimensional potential energy surfaces of the dissociative chemisorption of HCl on Ag(111) with three density functionals, Journal of chemical physics, 149, 2018, 054702-1~054702-10

20.P. Sun,J. Chen,S. Liu,D. Zhang, Accurate integral cross sections for the H+CO2→OH+CO reaction, Chemical physics letters, 706, 2018, 675-679.

21.J. Chen,X. Xu,S. Liu,D. Zhang, A neural network potential energy surface for the F+CH4reaction including multiple channels based on coupled cluster theory, Physical chemistry chemical physics, 20, 2018, 9090-9100.

22.P. Sun,Z. Zhang,J. Chen, S. Liu,D. Zhang, Well converged quantum rate constants for the H2+OH→H2O+H reaction via transition state wave packet, Journal of chemical physics, 149, 2018, 064303-1~064303-5.

23.J. Huang,S. Liu,D. Zhang,R. V. Krems, Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules, Physical review letters, 120, 2018, 143401-1~143401-6.

24.Z. Ren, Z. Sun, D. Zhang, X. Yang, A review of dynamical resonances in A+BC chemical reactions,Reports on progress in physics, 80, 2017, 026401-1~25.

25.X. Shen,Z. Zhang,D. Zhang, Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study, Journal of chemical physics, 147, 2017, 024702-1~024702-8.

26.B. Fu,Xiao Shan,D. Zhang,D. C. Clary, Recent advances in quantum scattering calculations on polyatomic bimolecular reactions, Chemical society reviews, 46, 2017, 7625-7649.

27.Y. Guan,B. Fu,D. Zhang,Construction of diabatic energy surfaces for LiFH with artificial neural networks,Journal of chemical physics, 147, 2017, 224307-1~224307-11.

28.P. Sun,J. Chen, S. Liu,D. Zhang, A full-dimensional time-dependent wave packet study of the H+CO2→OH+CO reaction, Chemical physics letters, 683, 2017, 352-356.

29.Z. Zhao,Z. Zhang,S. Liu,D. Zhang, Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism, Nature communications, 8, 2017, 14506-1~14506-7.

30.Z. Zhao,S. Liu,D. Zhang, Differential Cross Sections for the H+D2O→HD+OD Reaction: a Full Dimensional State-to-State Quantum Dynamics Study, Chinese journal of chemical physics, 30, 2017, 16-24.

31.T. Liu,B. Fu,D. Zhang, An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111), Physical chemistry chemical physics, 19, 2017, 11960-11967.

32.B. Zhao,Z. Sun,G. H, State-to-state mode specificity in H+DOH(nu(OH)=1)→HD+ OH(nu(2)=0) reaction: vibrational non-adiabaticity or local-mode excitation?Physical chemistry chemical physics, 20, 2017, 191-198.

33.T. Liu,B. Fu,D. Zhang, HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional, Journal of chemical physics, 146, 2017, 164706-1~164706-9.

34.X. Li, Z. Sun, An Exact Propagator for Solving the Triatomic Reactive Schroodinger, Chinese journal of chemical physics, 30, 2017, 761-770.

35.X. Shen,Z. Zhang,D. Zhang, Eight-Dimensional Quantum Dynamics Study of CH4 and CD4 Dissociation on Ni(100) Surface, Journal of Physical Chemistry C, 120, 2016, 20199-20205.

36.Z. Zhao,J. Chen,Z. Zhang,D. Zhang,D. Lauvergnat, F. Gatti, Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane, Journal of chemical physics, 144, 2016, 204302-1~204302-10.

37.Z. Zhang,T. Liu,B. Fu,X. Yang,D. Zhang, First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111),Nature communications,7,2016,11953-1~11953-7.

38.X. Shen,Z. Zhang,D. Zhang, Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site, Journal of chemical physics, 144, 2016, 101101-1~1011014.

39.T. Liu,Z. Zhang,J. Chen,B. Fu,D. Zhang, Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study,Physical chemistry chemical physics, 18, 2016, 26358-26364.

40.T. Liu,Z. Zhang,B. Fu,X. Yang,D. Zhang, Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surface, Physical chemistry chemical physics, 18, 2016, 8573-8544.

41.T. Liu,Z. Zhang,B. Fu,X. Yang,D. Zhang, A seven-dimensional quantum dynamics study of the dissociative chemisorption of H2O on Cu(111): effects of azimuthal angles and azimuthal angle-averaging, ChemicalScience, 7, 2016, 1840-1845.

42.Z. Zhao,S. Liu,D. Zhang, State-to-state differential cross sections for a four-atom reaction: H2+OH→H2O+H in full dimensions, Journal of chemical physics, 145, 2016, 134301-1~134301-8.

43.S. Liu,D. Zhang, A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional stateto-state quantum dynamics investigation, ChemicalScience, 7, 2016, 261-265.

44.T. Yang, L. Huang, T. Wang, C. Xiao, Y. Xie, Z. Sun, D. Dai, M. Chen, D. Zhang, X. Yan,Effect of Reagent Vibrational Excitation on the Dynamics of F+H2(v = 1, j = 0)→HF(v′, j′) + H Reaction, Journal of physical chemistry A,119201612284-12290.

45.T. Yang,J. Chen,L. Huang,T. Wang,C. Xiao,Z. Sun,D. Dai,X. Yang,D. Zhang, Extremely short-lived reaction resonances in Cl+HD(v=1)→DCl+H due to chemical bond softening, Science,347,2015,60-63.

46.J. Chen,Z. Sun,D. Zhang, An accurate potential energy surface for the F+H2→HF+H reaction by the coupled-luster method, Journal of chemical physics,142,2015,024303-1~024303-11.

47.W. Li,M. Chen,Z. Sun, Quantum Dynamics of Li+HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach, Chinese journal of chemical physics,28,2015,415-425.

48.D. Yu,S. Cong,Z. Sun, An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method, Chemical physics, 458,2015,41-51.

49.Z. Sun,D. Zhang, Development of the Potential Energy Surface and Current Stage of the Quantum Dynamics Studies of the F+H2/HD,Reaction International journal of quantum chemistry, 115,2015,689-699.

50.X. Lin,Z. Sun, Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H2+ and H2in cylindrical coordinates, Chemical physics letters, 621,2015,35-40.

51.B. Zhao,Z. Sun,H. Guo,Communication: State-to-state dynamics of the Cl+H2O→HCl+OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal,Journal of chemical physics,142,2015,241101-1~241101-5.

52.W. Xie,L. Liu,Z. Sun,H. Guo,Richard Dawes,State-to-state reaction dynamics of18O+32O2 studied by a time-dependent quantum wavepacket method, Journal of chemical physics,142,2015,064308-1~064308-10.

53.Z. Sun,D. Yu,W. Xie,J. Hou,Richard Dawes,H. Guo, Kinetic isotope effect of the16O+36O2and18O+32O2isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study, Journal of chemical physics 142,2015,174312-1~174312-12.

54.T. Yang,L. Huang,Y. Xie,T. Wang,C. Xiao,Z. Sun,D. Dai,M. Chen,D. Zhang,X. Yang, Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H+,Chinese journal of chemical physics, 28, 2015, 471-475.

55.R. Fernando, A. Dey, B. M. Broderick, B. Fu, Zahra Homayoon, J. M. Bowman, and A. G. Suits, Visible/Infrared Dissociation of NO3: Roaming in the Dark or Roaming on the Ground?, Journal of physical chemistry A, 119, 2015, 7163-7168.

56.K. Shao,B. Fu,D. Zhang, A global full-dimensional potential energy surface and quasiclassical trajectory study of the O(1D)+CH4multichannel reaction,Physical chemistry chemical physics,17, 2015, 24098-24107.

57.K. Shao,B. Fu,D. Zhang, Quasiclassical Trajectory Study of the Reaction of CD4with O(1D), Chinese journal of chemical physics, 28, 2015, 403-408.

58.B. Fu,D. Zhang,A full-dimensional quantum dynamics study of the mode specificity in the H +HOD abstraction reaction,Journal of chemical physics, 142, 2015, 064314-1~064314-9.

59.N. Balucani, F. Leonori, P. Casavecchia, B. Fu,J. M. Bowman, Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision Energy, Journal of physical chemistry A, 119, 2015, 12498-12511.

60.T. Wang,T. Yang,C. Xiao,Z. Sun,L. Huang,D. Dai,X. Yang,D. Zhang, Isotope-Dependent Rotational States Distributions Enhanced by Dynamic Resonance States: A Comparison Study of the F plus HD→HF(V-HF=2)+D and F+H2→HF(V-HF=2)+H Reaction, Journal of physical chemistry letters,5, 2014, 3049-3055.

61.J. Yuan,D. Cheng,Z. Sun,M. Chen, Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S2) + H2(X1n-ary sumation (+)(g))→AuH(X-1 n-ary sumation (+)(g)) + H(S2) reaction, Molecular physics, 112, 2014, 2945-2953.

62.W. Li,D. Zhang,Z. Sun, Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach,Journal of Physical Chemistry A,118,2014,9801-9810.

63.B. Zhao,Z. Sun,H. Guo, Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H2/D2+OH→H/D+H2O/HOD, Journal of chemical physics, 141, 2014, 154112-1-154112-9.

64.Y. Li,Z. Sun,B. Jiang,X. Dai,R. Dawes,H. Guo, Communication: Rigorous quantum dynamics of O+O2exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients, Journal of chemical physics,141,2014,081102-4-081102-4.

65.Z. Zhang,D. Zhang, Effects of reagent rotational excitation on the H + CHD3 → H2 + CD3 reaction: A seven dimensional time-dependent wave packet study, Journal of chemical physics, 141, 2014, 114309-1~114309-8.

66.B. Zhao,Z. Sun,H. Guo, Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets, Journal of chemical physics,140,2014,234110-1-234110-8.

67.D. Wu,M. Guo,Y. Wang,S. Yin,Z. Sun,M.R. Hoffmann,Coriolis coupling effect of state-to-state quantum dynamics for He+HeH+,Theoretical chemistry accounts,133,2014,1552-1-1552-12.

68.B. Zhao,D. Zhang,S. Lee,Z. Sun, Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method, Journal of chemical physics,140,2014,164108-1-164108-8.

69.L. Zhou,D. Xie,Z. Sun,H. Guo, Product fine-structure resolved photodissociation dynamics: The A band of H2O, Journal of chemical physics,140,2014,024310-1~024310-9.

70.T. Liu,B. Fu,D. Zhang, Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2on Cu(111) surface: A quantum dynamics study on two potential energy surfaces, Journal of chemical physics, 141, 2014, 194302-1~194302-8.

71.J. Yang,K. Shao,D. Zhang,Q. Shuai,B. Fu,D. Zhang,X. Yang, Trapped Abstraction in the O(1D)+CHD3→OH+CD3Reaction, Journal of physical chemistry letters, 5, 2014, 3106-3111.

72.T. Liu,B. Fu,D. Zhang, Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface, Journal of chemical physics, 140, 2014, 144701-1~144701-7.

73.T. Liu,B. Fu,D. Zhang, Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks, Science china-chemistry, 57, 2014, 147-155.

74.Z. Zhang,J. Chen,S. Liu,D. Zhang, Accuracy of the centrifugal sudden approximation in the H+CHD3→H2+CD3reaction, Journal of chemical physics, 140, 2014, 224304-1~224304-7.

75.S. Liu,J. Chen,B. Fu,D. Zhang, Statetostate quantum versus classical dynamics study of the OH+CO→H+CO2reaction in full dimensions (J=0): checking the validity of the quasiclassical trajectory method, Theoretical chemistry accounts, 133, 2014, 1558-1~1558-9.

76.T. Wang,J. Chen,T. Yang,C. Xiao,Z. Sun,L. Huang,D. Dai,X. Yang,D. Zhang, Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F+HDYHF+D Reaction, Science, 342, 2013, 1499-1502.

77.T. Liu,B. Fu,D. Zhang, Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface, Journal of chemical physics, 139, 2013, 184705-1~184705-8.

78.Riccardo Conte, B. Fu, E. Kamarchik, J. M. Bowman, A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH*by H2, Journal of chemical physics, 139, 2013, 044104-1~044104-9.

79.S. Liu,J. Chen,Z. Zhang,D. Zhang,A six-dimensional state-to-state quantum dynamics study of the H+CH4→H2+CH3reaction,Journal of chemical physics, 138, 2013, 011101-1~011101-4.

80.B. Fu,D. Zhang,J. M. Bowman, Quasiclassical trajectory studies of18O(3P)+NO2isotope exchange and reaction to O2+NO on D0 and D1 potentials, Journal of chemical physics, 139, 2013, 024303-1~024303-7.

81.B. Fu,D. Zhang, Mode specificity in the H+H2O→H2+OH reaction: A full-dimensional quantum dynamics study, Journal of chemical physics, 138, 2013, 184308-1~184308-7.

82.B. Fu, J. M. Bowman, H. Xiao, S. Maeda, K. Morokuma, Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces, Journal of chemical theory and computation, 8, 2013, 893-900.

83.Z. Sun,W. Yang,D. Zhang, Higher-order split operator schems for solving the Schrodinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations, Physical chemistry chemical physics, 14, 2012, 1827-1845.

84.C. Xie,B. Jiang,D. Xie,Z. Sun, Quantum state-to-state dynamics for the quenching process of Br(2P1/2) + H2(vi = 0, 1, ji = 0), Journal of chemical physics, 136, 2012, 1114310-1~114310-9.

85.Z. Sun,D. Zhang,基于量子波包方法的态鄄态分辨反应,化学进展, 24, 2012, 1153-1165.

86.H. Bian,J. Li,H. Chen,K. Yuan,X. Wen,Y. Li,Z. Sun,J. Zheng, Molecular Conformations andDynamics on Surfaces of Gold Nanoparticles Probed with Multiple-Mode Multiple-Dimensional Infrared Spectroscopy,Journal of physical chemistry C, 116, 2012, 7913-7924.

87.Z. Zhang,Y. Zhou,D. Zhang,G. Czako,J. M. Bowman, Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl+CHD3 Reaction, Journal of physical chemistry letters, 3, 2012, 3416-3419.

88.S. Liu,X. Xiao,T. Wang,J. Chen,T. Yang,X. Xu,D. Zhang,X. Yang, The dynamics of the D2+OH→HOD+D reaction: A combined theoretical and experimental study, Faraday discussions, 157, 2012, 101-111.

89.C. Wang,S. Liu,D. Zhang, Effects of reagent vibrational excitation on the state-to-state quantum dynamics of the OH+CO→H+CO2reation in six dimensions(J=0), Chemical physics letters, 537, 2012, 16-20.

90.S. Liu,X. Xu,D. Zhang, A full-dimensional time-dependent wave packet study of the OH+CO→H+CO2reaction, Theoretical chemistry accounts, 131, 2012, 1068-1~1068-7.

91.S. Liu,X. Xu,D. Zhang, Time-dependent wave packet theory for state-to-state differential cross sections of four-atom reactions in full dimensions: Application to the HD+OH→H2O+D reaction,Journal of chemical physics,136, 2012, 144302-1~144302-10.

92.B. Fu,Y. Zhou,D. Zhang, Shape resonance in the H+D2O→D+HOD reaction: a full-dimensional quantum dynamics study, Chemical science, 3, 2012, 270-274.

93.B. Fu,D. Zhang, Full-dimensional quantum dynamics study of the H+H2O and H+HOD reactions, Journal of physical chemistry A, 116, 2012, 820-825.

94.B. Fu,D. Zhang, Full-dimensional quantum dynamics study of exchange processes for the D+H2O and D+HOD reactions, Journal of chemical physics, 136, 2012, 194301-1~194301-7.

95.C. Xiao,X. Xu,S. Liu,T. Wang,W. Dong,T. Yang,Z. Sun,D. Dai,X. Xu,D. Zhang,X. Yang,Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH→H2O+D,Science, 333, 2011, 440-442.

96.Y. Zhou,B. Fu,C. Wang,M. A.Collins,D. Zhang, Ab initio potential energy surface and quantum dynamics for the H+CH4→H2+CH2, Journal of chemical physics, 134, 2011, 064323-1~064323-8.

97.H. Bian,J. Li,X. Wen,Z. Sun,J. Song,W. Zhuang,J. Zheng, Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy, Journal of physical chemistry A, 115, 2011, 3357-3365.

98.L. Bonnet,J. Espinosa-Garcia,J. C. Corchado,S. Liu,D. Zhang, Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D2: Checking the validity of the QCT method, Chemical physics letters, 516, 2011, 137-140.

99.S. Liu,X. Xu,D. Zhang, Communication: State-to-state quantum dynamics study of the OH+CO→H+CO2reaction in full dimensions (J=0),The journal of chemical physics, 135, 2011, 141108-1~141108-4.

100.M. A. Collins,O. Godsi,S. Liu,D. Zhang, An ab initio quasi-diabatic potential energy matrix for OH(2Σ)+H2, Journal of chemical physics, 135, 2011, 234307-1~234307-14.

101.X. Xiao, X. Xu, S. Liu,T. Wang,W. Dong, T. Yang,Z. Sun, D. Dai, X. Xu,D. Zhang, X. Yang, Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH→H2O+D, Science,333, 2011, 440-442.

102.Z. Sun,L. Liu,S. Lin,R. Schinke, H. Guo,D. Zhang, State-to-state quantum dynamics of Ot O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions, Proceedings of the national academy of sciences of the United States of America, 107, 2010, 555-558.

103.J. Ma,S. Lin,H. Guo,Z. Sun,D. Zhang,D. Xie, State-to-state quantum dynamics of the O(3P)+OH(2Π)→H(2S)+O2(3Σg‾) reaction, Journal of chemical physics, 133, 2010, 054302-1~054302-9.

104.W. Yang, Y. Zhou, G. Wu, Y. Lu, H. Pan, B. Fu, Q. Shuai, L. Liu, S. Liu, L. Zhang, B. Jiang, D. Dai, S. Lee, Z. Xie, B. J. Braams, J. M. Bowman, M. A. Collinsf, D. Zhang,X. Yang, Depression of reactivity by the collision energy in the single barrier H +CD4→HD+CD3reaction Proceedings of The National Academy of Sciences of the United States of America, 107, 2010, 12782-12785.

105.Z. Sun,H. Guo,D. Zhang, Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates 132 2010 084112-1-084112-11.

106.Z. Sun,D. Zhang,M.H. Alexander, Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H2 including the open-shell character of the Cl atom, Journal of chemical physics, 132, 2010, 034308-1~034308-14.

107.Z. Sun,S. Lee,H. Guo,D. Zhang, Comparison of Second-order Split Operator and Chebyshev Propagator in Wave Packet Based State-to-state Reactive Scattering Calculations, Journal of chemical physics, 130, 2009, 174102-1-174102-11.

108.Z. Sun,X. Lin,S. Lee,D. Zhang, A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H+O2Reaction, Journal of physical chemistry A, 113, 2009, 4145-4154.

109.Z. Li, X, Xie,Z. Sun,D. Zhang,S. Lin,H. Guo, NH(X3Σ)+H/D(2S)→H(2S)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model, Journal of chemical physics, 113, 2009, 124313-1~124313-7.

110.Z. Sun,B. Fu,D. Zhang,S. Lee, Theoretical investigation of the direct observation of anharmonic coupling in CDCl3 in the time domain with femtosecond stimulated Raman scattering, Journal of chemical physics, 130, 4, 2009, 044312-1~044312-9.

111.X. Wang,W. Dong,M. Qiu,Z. Ren,L. Che,D. Dai,X. Wang,X. Yang,Z. Sun,B. Fu,Soo-Y. Lee,X. Xu,D. Zhang, HF(v’= 3) forward scattering in the F+ H2 reaction: Shape resonance and slow-down mechanism, Proceedings of The National Academy of Sciences of the United States of America, 105, 2008, 6227-6231.

112.Z. Ren,L. Che,M. Qiu,X. Wang,W. Dong,D. Dai,X. Wang,X. Yang,Z. Sun,B. Fu,Soo-Y.Lee,D. Zhang, Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy Proceedings of The National Academy of Sciences of the United States of America, 105, 2008, 12662-12666.

113.B. Fu,Y. Zhou,D. Zhang, A State-To-State Quantum Dynamical Study of The H+HBr Reaction, Journal of theoretical and computational chemistry, 7, 2008, 777-791.

114.B. Fu,X. Xu,D. Zhang, A hierarchical construction scheme for accurate potential energy surface generation:An application to the F+H2reaction, Journal of chemical physics, 129, 2008, 011103-1~011103-4.

115.X. Wang,W. Dong,C. Dong,L. Che,Z. Ren,D. Dai,X. Wang,P. Casavecchia, X. Yang,B. Jiang,D. Xie,Z. Sun,S. Lee,D. Zhang,H.J. Werner, M. H. Alexande, The Extend of Non- Born-Oppenheimer Coupling in the Reaction of Cl (2P) with para-H2, Science, 322, 2008, 573-576.

116.Z. Sun,D. Zhang,C. Xu,S. Zhou,D. Xie,G. Lendvay,S. Lee,S. Lin,H. Guo, State-to-State Dynamics of H+O2Reaction, Evidence for Nonstatistical Behavior, Journal of the American Chemical Society, 130, 2008 ,14962-14963.

117.Z. Sun, J. Lu,D. Zhang, S. Lee, Quantum theory of(femtosecond)time-resolved stimulated Raman scattering Journal of chemical physics, 128, 2008, 144114-1~144114-13.

118.Z. Sun,S. Lee, D. Zhang, Time-dependent Quantum Wave Packet Study of F+HCl and F+DCl Reactions, Chinese journal of chemical physics, 20, 2007, 365-371.

119.Z. Sun,Z. Jin,J. Lu,D. Zhang,S. Lee, Wave packet theory of dynamic stimulated Raman spectra in femtosecond pump-probe spectroscopy, Journal of chemical physics, 126, 2007, 174104-1~174104-10.

120.M. Qiu, Z. Ren, L. Che, D. Dai , Steve A. Harich, X. Wang, X. Yang, C. Xu, D. Xie, Magnus Gustafsson, Rex T. Skodje, Z. Sun, D. Zhang, Observation of Feshbach Resonances in the F+H2→HF+H Reaction, Science, 311, 2006, 1440-1443.

121.Z. Ren,L. Che,M. Qiu,X. Wang,D. Dai,S. A. Harich, X. Wang,X. Yang,C. Xu,D. Xie,Z. Sun,D. Zhang, Probing Feshbach resonances in F+H2(j=1)→HF+H:Dynamical effect of single quantum H2-rotation, Journal of chemical physics, 125, 2006, 1511102-1~151102-4.

122.Z. Sun,N. Lou,G. Nyman, Molecular dynamics and control following excitation with an ultra-short intense laser pulse, Chemical physics, 308, 2005, 317-323.

123.Z. Sun,N. Lou,G. Nyman, A 2A2←X 2B1 absorption and Raman spectra of the OClO molecule: A three-dimensional time-dependent wave packet study, Journal of chemical physics, 122, 2005, 054316-1~054316-7.

124.Z. Sun,N. Lou,G. Nyman,Femtosecond pump-probe photodissociation of OClO: direct observation of the 2A1 state and the role of accidental multiphoton resonance, Chemical physics letters, 393, 2004, 204-208.

125.Z. Sun,N. Lou,G. Nyman, Time-Dependent Wave Packet Split Operator Calculations on a Three-Dimensional Fourier Grid in Radau Coordinates Applied to the OCLO Photoeleatron Spectrum, Journal of physical chemistry A, 108, 2004, 9226-9232.

126.Z. Sun,H. Liu,N. Lou,S. Cong, Selecting ionization path by dynamic stark shift with strong laser pulse, Chemical physics letters, 369, 2003, 374-379.

127.Z. Sun,N. Lou, Autler-Townes Splitting in the Multiphoton Resonance Ionization Spectrum of Molecules Produced by Ultrashort Laser Pulses, Physical review letters, 91, 2003, 023002-1~023022-4.



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