Dong Hui Zhang - Publications

Affiliations: 
2004- Dalian Institute of Chemical Physics 

138 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Fu YL, Bai Y, Han YC, Fu B, Zhang DH. Double-Roaming Dynamics in the H + CH → H + CH Reaction: Acetylene-Facilitated Roaming and Vinylidene-Facilitated Roaming. The Journal of Physical Chemistry Letters. 4211-4217. PMID 33900762 DOI: 10.1021/acs.jpclett.1c01045  0.6
2021 Zhang X, Chen J, Xu X, Liu S, Zhang DH. A neural network potential energy surface for the F + HO ↔ HF + OH reaction and quantum dynamics study of the isotopic effect. Physical Chemistry Chemical Physics : Pccp. 23: 8809-8816. PMID 33876040 DOI: 10.1039/d1cp00641j  0.72
2021 Yin Z, Braams BJ, Fu B, Zhang DH. Neural Network Representation of Three-State Quasidiabatic Hamiltonians Based on the Transformation Properties from a Valence Bond Model: Three Singlet States of H. Journal of Chemical Theory and Computation. PMID 33645221 DOI: 10.1021/acs.jctc.0c01336  0.6
2021 Chen W, Wang R, Yuan D, Zhao H, Luo C, Tan Y, Li S, Zhang DH, Wang X, Sun Z, Yang X. Quantum interference between spin-orbit split partial waves in the F + HD → HF + D reaction. Science (New York, N.Y.). 371: 936-940. PMID 33632844 DOI: 10.1126/science.abf4205  0.76
2021 Zhang X, Zhang Z, Gatti F, Zhang DH. Full-dimensional quantum dynamics study of isotope effects for the H + NH/ND/NHD and H/D/HD + NH reactions. The Journal of Chemical Physics. 154: 074301. PMID 33607900 DOI: 10.1063/5.0040002  0.72
2021 Fu YL, Lu X, Han YC, Fu B, Zhang DH. Supercollisions of fast H-atom with ethylene on an accurate full-dimensional potential energy surface. The Journal of Chemical Physics. 154: 024302. PMID 33445911 DOI: 10.1063/5.0033682  0.6
2020 Yin Z, Braams BJ, Guan Y, Fu B, Zhang DH. A fundamental invariant-neural network representation of quasi-diabatic Hamiltonians for the two lowest states of H. Physical Chemistry Chemical Physics : Pccp. PMID 33346765 DOI: 10.1039/d0cp05047d  0.6
2020 Lu X, Fu B, Zhang DH. Dynamics and kinetics of the OH + HO → HO + O (Δ) reaction on a global full-dimensional singlet-state potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 33179671 DOI: 10.1039/d0cp04611f  0.6
2020 Li G, Zhang YY, Li Q, Wang C, Yu Y, Zhang B, Hu HS, Zhang W, Dai D, Wu G, Zhang DH, Li J, Yang X, Jiang L. Infrared spectroscopic study of hydrogen bonding topologies in the smallest ice cube. Nature Communications. 11: 5449. PMID 33116144 DOI: 10.1038/s41467-020-19226-6  0.4
2020 Pan H, Liu S, Zhang DH, Liu K. From Reactive Rainbow to Dynamic Resonance Well. The Journal of Physical Chemistry Letters. 9446-9452. PMID 33108183 DOI: 10.1021/acs.jpclett.0c02916  0.72
2020 Huang J, Chen J, Liu S, Zhang DH. Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions. The Journal of Physical Chemistry Letters. 8560-8564. PMID 32972141 DOI: 10.1021/acs.jpclett.0c02606  0.72
2020 Hong Y, Yin Z, Guan Y, Zhang Z, Fu B, Zhang D. Exclusive Neural Network Representation of the Quasi-Diabatic Hamiltonians Including Conical Intersections. The Journal of Physical Chemistry Letters. PMID 32835486 DOI: 10.1021/acs.jpclett.0c02173  0.6
2020 Zhang B, Yu Y, Zhang YY, Jiang S, Li Q, Hu HS, Li G, Zhao Z, Wang C, Xie H, Zhang W, Dai D, Wu G, Zhang DH, Jiang L, et al. Infrared spectroscopy of neutral water clusters at finite temperature: Evidence for a noncyclic pentamer. Proceedings of the National Academy of Sciences of the United States of America. PMID 32541029 DOI: 10.1073/Pnas.2000601117  0.4
2020 Chen R, Shao K, Fu B, Zhang DH. Fitting potential energy surfaces with fundamental invariant neural network. II. Generating fundamental invariants for molecular systems with up to ten atoms. The Journal of Chemical Physics. 152: 204307. PMID 32486688 DOI: 10.1063/5.0010104  0.6
2020 Xie Y, Zhao H, Wang Y, Huang Y, Wang T, Xu X, Xiao C, Sun Z, Zhang DH, Yang X. Quantum interference in H + HD → H + D between direct abstraction and roaming insertion pathways. Science (New York, N.Y.). 368: 767-771. PMID 32409475 DOI: 10.1126/Science.Abb1564  0.76
2020 Chen Z, Chen J, Chen R, Xie T, Wang X, Liu S, Wu G, Dai D, Yang X, Zhang DH. Reactivity oscillation in the heavy-light-heavy Cl + CH reaction. Proceedings of the National Academy of Sciences of the United States of America. PMID 32277024 DOI: 10.1073/Pnas.1917618117  0.72
2020 Li L, Fu B, Yang X, Zhang DH. A global ab initio potential energy surface and dynamics of the proton-transfer reaction: OH + D → HOD + D. Physical Chemistry Chemical Physics : Pccp. PMID 32249871 DOI: 10.1039/D0Cp00107D  0.6
2020 Zhang B, Yu Y, Zhang Z, Zhang Y, Jiang S, Li Q, Yang S, Hu H, Zhang W, Dai D, Wu G, Li J, Zhang D, Yang X, Jiang L. Infrared Spectroscopy of Neutral Water Dimer Based on a Tunable Vacuum Ultraviolet Free Electron Laser. The Journal of Physical Chemistry Letters. PMID 31944117 DOI: 10.1021/Acs.Jpclett.9B03683  0.4
2020 Zhang X, Li L, Chen J, Liu S, Zhang DH. Feshbach resonances in the F + HO → HF + OH reaction. Nature Communications. 11: 223. PMID 31932595 DOI: 10.1038/S41467-019-14097-Y  0.72
2019 Liu T, Fu B, Zhang DH. Six-dimensional potential energy surfaces for the dissociative chemisorption of HCl on rigid Ag(100) and Ag(110) surfaces. The Journal of Chemical Physics. 151: 144707. PMID 31615235 DOI: 10.1063/1.5122218  0.6
2019 Yin Z, Guan Y, Fu B, Zhang DH. Two-state diabatic potential energy surfaces of ClH based on nonadiabatic couplings with neural networks. Physical Chemistry Chemical Physics : Pccp. PMID 31498342 DOI: 10.1039/C9Cp03592C  0.6
2019 Yang T, Huang L, Xiao C, Chen J, Wang T, Dai D, Lique F, Alexander MH, Sun Z, Zhang DH, Yang X, Neumark DM. Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling. Nature Chemistry. PMID 31235895 DOI: 10.1038/S41557-019-0280-3  0.76
2018 Xu X, Chen J, Liu S, Zhang DH. An ab initio-based global potential energy surface for the SH system and full-dimensional state-to-state quantum dynamics study for the H + HS → H S + H reaction. Journal of Computational Chemistry. PMID 30593713 DOI: 10.1002/Jcc.25746  0.72
2018 Yuan D, Guan Y, Chen W, Zhao H, Yu S, Luo C, Tan Y, Xie T, Wang X, Sun Z, Zhang DH, Yang X. Observation of the geometric phase effect in the H + HD → H + D reaction. Science (New York, N.Y.). 362: 1289-1293. PMID 30545885 DOI: 10.1126/Science.Aav1356  0.76
2018 Guan Y, Zhang DH, Guo H, Yarkony DR. Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 A' states of LiFH. Physical Chemistry Chemical Physics : Pccp. PMID 30523350 DOI: 10.1039/C8Cp06598E  0.76
2018 Lu X, Meng Q, Wang X, Fu B, Zhang DH. Rate coefficients of the H + HO → H + HO reaction on an accurate fundamental invariant-neural network potential energy surface. The Journal of Chemical Physics. 149: 174303. PMID 30409010 DOI: 10.1063/1.5063613  0.6
2018 Liu T, Fu B, Zhang DH. Six-dimensional quantum dynamics for the dissociative chemisorption of HCl on rigid Ag(111) on three potential energy surfaces with different density functionals. The Journal of Chemical Physics. 149: 174702. PMID 30409004 DOI: 10.1063/1.5053827  0.6
2018 Lu X, Shao K, Fu B, Wang X, Zhang DH. An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + HO two-channel reaction. Physical Chemistry Chemical Physics : Pccp. PMID 30168544 DOI: 10.1039/C8Cp04045A  0.6
2018 Sun P, Zhang Z, Chen J, Liu S, Zhang DH. Well converged quantum rate constants for the H + OH → HO + H reaction via transition state wave packet. The Journal of Chemical Physics. 149: 064303. PMID 30111127 DOI: 10.1063/1.5046890  0.72
2018 Liu T, Fu B, Zhang DH. Six-dimensional potential energy surfaces of the dissociative chemisorption of HCl on Ag(111) with three density functionals. The Journal of Chemical Physics. 149: 054702. PMID 30089369 DOI: 10.1063/1.5036805  0.6
2018 Huang J, Liu S, Zhang DH, Krems RV. Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules. Physical Review Letters. 120: 143401. PMID 29694154 DOI: 10.1103/Physrevlett.120.143401  0.72
2018 Yuan D, Yu S, Chen W, Sang J, Luo C, Wang T, Xu X, Casavecchia P, Wang X, Sun Z, Zhang DH, Yang X. Direct observation of forward-scattering oscillations in the H+HD→H+D reaction. Nature Chemistry. PMID 29686377 DOI: 10.1038/S41557-018-0032-9  0.76
2018 Liu T, Chen J, Zhang Z, Shen X, Fu B, Zhang DH. Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface. The Journal of Chemical Physics. 148: 144705. PMID 29655332 DOI: 10.1063/1.5023069  0.72
2018 Yang D, Hu X, Zhang DH, Xie D. Publisher's Note: "An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision" [J. Chem. Phys. 148, 084101 (2018)]. The Journal of Chemical Physics. 148: 129901. PMID 29604825 DOI: 10.1063/1.5029272  0.4
2018 Fu B, Zhang D. Ab initio potential energy surfaces and quantum dynamics for polyatomic bimolecular reactions. Journal of Chemical Theory and Computation. PMID 29579386 DOI: 10.1021/acs.jctc.8b00006  0.6
2018 Chen J, Xu X, Liu S, Zhang DH. A neural network potential energy surface for the F + CHreaction including multiple channels based on coupled cluster theory. Physical Chemistry Chemical Physics : Pccp. PMID 29564426 DOI: 10.1039/C7Cp08365C  0.72
2018 Yang D, Hu X, Zhang DH, Xie D. An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision. The Journal of Chemical Physics. 148: 084101. PMID 29495786 DOI: 10.1063/1.5010807  0.4
2018 Zhao Z, Chen J, Zhang Z, Zhang DH, Wang XG, Carrington T, Gatti F. Computing energy levels of CH, CHD, CHD, and CHF with a direct product basis and coordinates based on the methyl subsystem. The Journal of Chemical Physics. 148: 074113. PMID 29471646 DOI: 10.1063/1.5019323  0.72
2017 Guan Y, Fu B, Zhang DH. Construction of diabatic energy surfaces for LiFH with artificial neural networks. The Journal of Chemical Physics. 147: 224307. PMID 29246076 DOI: 10.1063/1.5007031  0.6
2017 Fu B, Shan X, Zhang DH, Clary DC. Recent advances in quantum scattering calculations on polyatomic bimolecular reactions. Chemical Society Reviews. PMID 29143835 DOI: 10.1039/c7cs00526a  0.6
2017 Chen J, Su NQ, Xu X, Zhang DH. Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional. Journal of Computational Chemistry. PMID 28786211 DOI: 10.1002/Jcc.24886  0.72
2017 Liu T, Fu B, Zhang DH. 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. The Journal of Chemical Physics. 146: 164706. PMID 28456190 DOI: 10.1063/1.4982051  0.6
2017 Liu T, Fu B, Zhang DH. 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 : Pccp. PMID 28440834 DOI: 10.1039/C7Cp01770G  0.6
2017 Zhao Z, Zhang Z, Liu S, Zhang DH. Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism. Nature Communications. 8: 14506. PMID 28224993 DOI: 10.1038/Ncomms14506  0.72
2016 Liu T, Zhang Z, Fu B, Yang X, Zhang DH. A seven-dimensional quantum dynamics study of the dissociative chemisorption of HO on Cu(111): effects of azimuthal angles and azimuthal angle-averaging. Chemical Science. 7: 1840-1845. PMID 29899905 DOI: 10.1039/C5Sc03689E  0.6
2016 Liu S, Zhang DH. A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation. Chemical Science. 7: 261-265. PMID 28758003 DOI: 10.1039/C5Sc03472H  0.72
2016 Zhao Z, Liu S, Zhang DH. State-to-state differential cross sections for a four-atom reaction: H2 + OH → H2O + H in full dimensions. The Journal of Chemical Physics. 145: 134301. PMID 27782438 DOI: 10.1063/1.4963798  0.72
2016 Meng Q, Hickson KM, Shao K, Loison JC, Zhang DH. Theoretical and experimental investigations of rate coefficients of O((1)D) + CH4 at low temperature. Physical Chemistry Chemical Physics : Pccp. PMID 27731878 DOI: 10.1039/C6Cp05517F  0.44
2016 Shao K, Chen J, Zhao Z, Zhang DH. Communication: Fitting potential energy surfaces with fundamental invariant neural network. The Journal of Chemical Physics. 145: 071101. PMID 27544080 DOI: 10.1063/1.4961454  0.72
2016 Liu T, Zhang Z, Chen J, Fu B, Zhang DH. Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 27524633 DOI: 10.1039/C6Cp04690H  0.72
2016 Meng Q, Chen J, Zhang DH. Ring polymer molecular dynamics fast computation of rate coefficients on accurate potential energy surfaces in local configuration space: Application to the abstraction of hydrogen from methane. The Journal of Chemical Physics. 144: 154312. PMID 27389225 DOI: 10.1063/1.4947097  0.72
2016 Zhang Z, Liu T, Fu B, Yang X, Zhang DH. First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111). Nature Communications. 7: 11953. PMID 27283908 DOI: 10.1038/Ncomms11953  0.6
2016 Zhao Z, Chen J, Zhang Z, Zhang DH, Lauvergnat D, Gatti F. Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane. The Journal of Chemical Physics. 144: 204302. PMID 27250301 DOI: 10.1063/1.4950028  0.72
2016 Chen L, Shao K, Chen J, Yang M, Zhang DH. Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface. The Journal of Chemical Physics. 144: 194309. PMID 27208951 DOI: 10.1063/1.4948996  0.72
2016 Zhang DH, Guo H. Recent Advances in Quantum Dynamics of Bimolecular Reactions. Annual Review of Physical Chemistry. PMID 26980305 DOI: 10.1146/Annurev-Physchem-040215-112016  0.76
2016 Shen X, Zhang Z, Zhang DH. Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site. The Journal of Chemical Physics. 144: 101101. PMID 26979673 DOI: 10.1063/1.4943128  0.6
2016 Liu T, Zhang Z, Fu B, Yang X, Zhang DH. 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 : Pccp. PMID 26941197 DOI: 10.1039/C6Cp00034G  0.6
2015 Zhang Z, Chen J, Yang M, Zhang DH. Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction. The Journal of Physical Chemistry. A. PMID 26495964 DOI: 10.1021/Acs.Jpca.5B07937  0.72
2015 Shen X, Chen J, Zhang Z, Shao K, Zhang DH. Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method. The Journal of Chemical Physics. 143: 144701. PMID 26472389 DOI: 10.1063/1.4932226  0.72
2015 Meng Q, Chen J, Zhang DH. Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface. The Journal of Chemical Physics. 143: 101102. PMID 26373990 DOI: 10.1063/1.4930860  0.72
2015 Shao K, Fu B, Zhang DH. A global full-dimensional potential energy surface and quasiclassical trajectory study of the O((1)D) + CH4 multichannel reaction. Physical Chemistry Chemical Physics : Pccp. 17: 24098-107. PMID 26316049 DOI: 10.1039/C5Cp04278J  0.6
2015 Li J, Chen J, Zhao Z, Xie D, Zhang DH, Guo H. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system. The Journal of Chemical Physics. 142: 204302. PMID 26026442 DOI: 10.1063/1.4921412  0.76
2015 Su NQ, Chen J, Sun Z, Zhang DH, Xu X. H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: validation of the density functionals. The Journal of Chemical Physics. 142: 084107. PMID 25725712 DOI: 10.1063/1.4913196  0.76
2015 Fu B, Zhang DH. A full-dimensional quantum dynamics study of the mode specificity in the H + HOD abstraction reaction. The Journal of Chemical Physics. 142: 064314. PMID 25681913 DOI: 10.1063/1.4907918  0.6
2015 Chen J, Sun Z, Zhang DH. An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method. The Journal of Chemical Physics. 142: 024303. PMID 25591349 DOI: 10.1063/1.4904546  0.76
2015 Yang T, Chen J, Huang L, Wang T, Xiao C, Sun Z, Dai D, Yang X, Zhang DH. Reaction dynamics. Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening. Science (New York, N.Y.). 347: 60-3. PMID 25554783 DOI: 10.1126/Science.1260527  0.76
2014 Wang T, Yang T, Xiao C, Sun Z, Huang L, Dai D, Yang X, Zhang DH. Isotope-Dependent Rotational States Distributions Enhanced by Dynamic Resonance States: A Comparison Study of the F + HD → HF(vHF = 2) + D and F + H2 → HF(vHF = 2) + H Reaction. The Journal of Physical Chemistry Letters. 5: 3049-55. PMID 26278258 DOI: 10.1021/Jz501460K  0.76
2014 Yang J, Shao K, Zhang D, Shuai Q, Fu B, Zhang DH, Yang X. Trapped Abstraction in the O((1)D) + CHD3 → OH + CD3 Reaction. The Journal of Physical Chemistry Letters. 5: 3106-11. PMID 26276320 DOI: 10.1021/Jz5016923  0.6
2014 Li J, Chen J, Zhang DH, Guo H. Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface. The Journal of Chemical Physics. 140: 044327. PMID 25669543 DOI: 10.1063/1.4863138  0.76
2014 Liu T, Fu B, Zhang DH. Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: a quantum dynamics study on two potential energy surfaces. The Journal of Chemical Physics. 141: 194302. PMID 25416886 DOI: 10.1063/1.4901894  0.6
2014 Li W, Zhang DH, Sun Z. Efficient fourth-order split operator for solving the triatomic reactive Schrödinger equation in the time-dependent wavepacket approach. The Journal of Physical Chemistry. A. 118: 9801-10. PMID 25268464 DOI: 10.1021/Jp5074158  0.76
2014 Zhang Z, Chen J, Liu S, Zhang DH. Accuracy of the centrifugal sudden approximation in the H + CHD₃ → H₂ + CD₃ reaction. The Journal of Chemical Physics. 140: 224304. PMID 24929385 DOI: 10.1063/1.4881517  0.72
2014 Zhao B, Zhang DH, Lee SY, Sun Z. Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method. The Journal of Chemical Physics. 140: 164108. PMID 24784254 DOI: 10.1063/1.4872157  0.76
2014 Liu T, Fu B, Zhang DH. Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface. The Journal of Chemical Physics. 140: 144701. PMID 24735307 DOI: 10.1063/1.4870594  0.6
2014 Xie C, Ma J, Zhu X, Zhang DH, Yarkony DR, Xie D, Guo H. Full-dimensional quantum state-to-state nonadiabatic dynamics for photodissociation of ammonia in its A -band Journal of Physical Chemistry Letters. 5: 1055-1060. DOI: 10.1021/jz500227d  0.76
2013 Wang T, Chen J, Yang T, Xiao C, Sun Z, Huang L, Dai D, Yang X, Zhang DH. Dynamical resonances accessible only by reagent vibrational excitation in the F + HD->HF + D reaction. Science (New York, N.Y.). 342: 1499-502. PMID 24357315 DOI: 10.1126/Science.1246546  0.76
2013 Liu T, Fu B, Zhang DH. Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface. The Journal of Chemical Physics. 139: 184705. PMID 24320289 DOI: 10.1063/1.4829508  0.6
2013 Fu B, Zhang DH, Bowman JM. Quasiclassical trajectory studies of 18O(3P) + NO2 isotope exchange and reaction to O2 + NO on D0 and D1 potentials. The Journal of Chemical Physics. 139: 024303. PMID 23862939 DOI: 10.1063/1.4812802  0.6
2013 Chen J, Xu X, Xu X, Zhang DH. Communication: an accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks. The Journal of Chemical Physics. 138: 221104. PMID 23781775 DOI: 10.1063/1.4811109  0.72
2013 Fu B, Zhang DH. Mode specificity in the H + H2O → H2 + OH reaction: a full-dimensional quantum dynamics study. The Journal of Chemical Physics. 138: 184308. PMID 23676045 DOI: 10.1063/1.4803695  0.6
2013 Chen J, Xu X, Xu X, Zhang DH. A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks. The Journal of Chemical Physics. 138: 154301. PMID 23614417 DOI: 10.1063/1.4801658  0.72
2013 Liu S, Chen J, Zhang Z, Zhang DH. Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0). The Journal of Chemical Physics. 138: 011101. PMID 23298021 DOI: 10.1063/1.4774116  0.72
2012 Liu S, Xiao C, Wang T, Chen J, Yang T, Xu X, Zhang DH, Yang X. The dynamics of the D2 + OH --> HOD + D reaction: a combined theoretical and experimental study. Faraday Discussions. 157: 101-11; discussion 1. PMID 23230766 DOI: 10.1039/C2Fd20018J  0.72
2012 Fu B, Zhang DH. Full-dimensional quantum dynamics study of exchange processes for the D + H2O and D + HOD reactions. The Journal of Chemical Physics. 136: 194301. PMID 22612089 DOI: 10.1063/1.4718386  0.6
2012 Wang C, Zhang DH, Skodje RT. A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide. The Journal of Chemical Physics. 136: 164314. PMID 22559489 DOI: 10.1063/1.4705755  0.6
2012 Liu S, Xu X, Zhang DH. 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. The Journal of Chemical Physics. 136: 144302. PMID 22502513 DOI: 10.1063/1.3701266  0.72
2012 Sun Z, Yang W, Zhang DH. Higher-order split operator schemes for solving the Schrödinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations. Physical Chemistry Chemical Physics : Pccp. 14: 1827-45. PMID 22234283 DOI: 10.1039/C1Cp22790D  0.76
2012 Fu B, Zhang DH. Full-dimensional quantum dynamics study of the H + H2O and H + HOD exchange reactions. The Journal of Physical Chemistry. A. 116: 820-5. PMID 22171571 DOI: 10.1021/Jp211096Q  0.6
2012 Aad G, Abbott B, Abdallah J, Abdelalim AA, Abdesselam A, Abdinov O, Abi B, Abolins M, AbouZeid OS, Abramowicz H, Abreu H, Acerbi E, Acharya BS, Adamczyk L, Adams DL, ... ... Zhang D, et al. Search for anomalous production of prompt like-sign muon pairs and constraints on physics beyond the standard model with the ATLAS detector Physical Review D. 85. DOI: 10.1103/Physrevd.85.032004  0.72
2012 Jankunas J, Bartlett NCM, Zare RN, Liu L, Xu X, Zhang DH. D+C(CH 3) 4 → HD (v′, j′)+C(CH 3) 3CH 2: Possible concerted flow of vibration energy into translation Molecular Physics. 110: 1713-1720. DOI: 10.1080/00268976.2012.673641  0.72
2011 Collins MA, Godsi O, Liu S, Zhang DH. An ab initio quasi-diabatic potential energy matrix for OH(2Σ) + H2. The Journal of Chemical Physics. 135: 234307. PMID 22191875 DOI: 10.1063/1.3664759  0.72
2011 Liu S, Xu X, Zhang DH. Communication: state-to-state quantum dynamics study of the OH + CO → H + CO2 reaction in full dimensions (J = 0). The Journal of Chemical Physics. 135: 141108. PMID 22010691 DOI: 10.1063/1.3653787  0.72
2011 Xiao C, Xu X, Liu S, Wang T, Dong W, Yang T, Sun Z, Dai D, Xu X, Zhang DH, Yang X. Experimental and theoretical differential cross sections for a four-atom reaction: HD + OH → H₂O + D. Science (New York, N.Y.). 333: 440-2. PMID 21778397 DOI: 10.1126/Science.1205770  0.76
2011 Li Z, Xie C, Jiang B, Xie D, Liu L, Sun Z, Zhang DH, Guo H. Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: competition between abstraction and exchange channels. The Journal of Chemical Physics. 134: 134303. PMID 21476751 DOI: 10.1063/1.3574898  0.76
2011 Zhou Y, Fu B, Wang C, Collins MA, Zhang DH. Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction. The Journal of Chemical Physics. 134: 064323. PMID 21322696 DOI: 10.1063/1.3552088  0.6
2010 Ma J, Lin SY, Guo H, Sun Z, Zhang DH, Xie D. State-to-state quantum dynamics of the O(3P)+OH(2Pi)-->H(2S)+O2(3Sigma(g)-) reaction. The Journal of Chemical Physics. 133: 054302. PMID 20707527 DOI: 10.1063/1.3455431  0.76
2010 Zhang W, Zhou Y, Wu G, Lu Y, Pan H, Fu B, Shuai Q, Liu L, Liu S, Zhang L, Jiang B, Dai D, Lee SY, Xie Z, Xie Z, ... ... Zhang DH, et al. Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction. Proceedings of the National Academy of Sciences of the United States of America. 107: 12782-5. PMID 20615988 DOI: 10.1073/Pnas.1006910107  0.72
2010 Dong W, Xiao C, Wang T, Dai D, Yang X, Zhang DH. Transition-state spectroscopy of partial wave resonances in the F + HD reaction. Science (New York, N.Y.). 327: 1501-2. PMID 20299593 DOI: 10.1126/Science.1185694  0.4
2010 Sun Z, Guo H, Zhang DH. Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates. The Journal of Chemical Physics. 132: 084112. PMID 20192295 DOI: 10.1063/1.3328109  0.76
2010 Sun Z, Zhang DH, Alexander MH. Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H(2) including the open-shell character of the Cl atom. The Journal of Chemical Physics. 132: 034308. PMID 20095740 DOI: 10.1063/1.3290946  0.76
2010 Sun Z, Liu L, Lin SY, Schinke R, Guo H, Zhang DH. State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions. Proceedings of the National Academy of Sciences of the United States of America. 107: 555-8. PMID 20080718 DOI: 10.1073/Pnas.0911356107  0.76
2010 Sun Z, Zhang DH, Alexander MH. 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. DOI: 10.1063/1.3290946  0.6
2009 Li Z, Xie D, Sun Z, Zhang DH, Lin SY, Guo H. NH(X3Sigma) + H/D(2S) --> H(2S) + NH/ND(X3Sigma) exchange reactions: state-to-state quantum scattering and applicability of statistical model. The Journal of Chemical Physics. 131: 124313. PMID 19791887 DOI: 10.1063/1.3241134  0.76
2009 Zhang DH, Shao J, Pollak E. Frozen Gaussian series representation of the imaginary time propagator theory and numerical tests. The Journal of Chemical Physics. 131: 044116. PMID 19655846 DOI: 10.1063/1.3190328  0.6
2009 Sun Z, Lee SY, Guo H, Zhang DH. Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations. The Journal of Chemical Physics. 130: 174102. PMID 19425764 DOI: 10.1063/1.3126363  0.76
2009 Sun Z, Lin X, Lee SY, Zhang DH. A reactant-coordinate-based time-dependent wave packet method for triatomic state-to-state reaction dynamics: application to the H + O2 reaction. The Journal of Physical Chemistry. A. 113: 4145-54. PMID 19245214 DOI: 10.1021/Jp810512J  0.76
2009 Sun Z, Fu B, Zhang DH, Lee SY. Theoretical investigation of the direct observation of anharmonic coupling in CDCl(3) in the time domain with femtosecond stimulated Raman scattering. The Journal of Chemical Physics. 130: 044312. PMID 19191390 DOI: 10.1063/1.3068709  0.76
2008 Wang X, Dong W, Xiao C, Che L, Ren Z, Dai D, Wang X, Casavecchia P, Yang X, Jiang B, Xie D, Sun Z, Lee SY, Zhang DH, Werner HJ, et al. The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with para-H2. Science (New York, N.Y.). 322: 573-6. PMID 18948537 DOI: 10.1126/Science.1163195  0.6
2008 Sun Z, Zhang DH, Xu C, Zhou S, Xie D, Lendvay G, Lee SY, Lin SY, Guo H. State-to-state dynamics of H + O2 reaction, evidence for nonstatistical behavior. Journal of the American Chemical Society. 130: 14962-3. PMID 18921998 DOI: 10.1021/Ja8068616  0.76
2008 Ren Z, Che L, Qiu M, Wang X, Dong W, Dai D, Wang X, Yang X, Sun Z, Fu B, Lee SY, Xu X, Zhang DH. 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: 12662-6. PMID 18687888 DOI: 10.1073/Pnas.0709974105  0.76
2008 Fu B, Xu X, Zhang DH. A hierarchical construction scheme for accurate potential energy surface generation: an application to the F+H2 reaction. The Journal of Chemical Physics. 129: 011103. PMID 18624461 DOI: 10.1063/1.2955729  0.72
2008 Wang X, Dong W, Qiu M, Ren Z, Che L, Dai D, Wang X, Yang X, Sun Z, Fu B, Lee SY, Xu X, Zhang DH. 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: 6227-31. PMID 18434547 DOI: 10.1073/Pnas.0710840105  0.76
2008 Sun Z, Lu J, Zhang DH, Lee SY. Quantum theory of (femtosecond) time-resolved stimulated Raman scattering. The Journal of Chemical Physics. 128: 144114. PMID 18412430 DOI: 10.1063/1.2888551  0.76
2008 Lin SY, Sun Z, Guo H, Zhang DH, Honvault P, Xie D, Lee SY. Fully Coriolis-coupled quantum studies of the H + O2 (upsilon i = 0-2, j i = 0,1) --> OH + O reaction on an accurate potential energy surface: integral cross sections and rate constants. The Journal of Physical Chemistry. A. 112: 602-11. PMID 18181592 DOI: 10.1021/Jp7098637  0.76
2007 Zhang L, Lu Y, Lee SY, Zhang DH. A transition state wave packet study of the H+CH4 reaction. The Journal of Chemical Physics. 127: 234313. PMID 18154388 DOI: 10.1063/1.2812553  0.56
2007 Che L, Ren Z, Wang X, Dong W, Dai D, Wang X, Zhang DH, Yang X, Sheng L, Li G, Werner HJ, Lique F, Alexander MH. Breakdown of the Born-Oppenheimer approximation in the F+ o-D2 -> DF + D reaction. Science (New York, N.Y.). 317: 1061-4. PMID 17717180 DOI: 10.1126/Science.1144984  0.6
2007 Fu B, Zhang DH. A time-dependent quantum dynamical study of the H + HBr reaction. The Journal of Physical Chemistry. A. 111: 9516-21. PMID 17696330 DOI: 10.1021/jp073811z  0.6
2007 Sun Z, Jin Z, Lu J, Zhang DH, Lee SY. Wave packet theory of dynamic stimulated Raman spectra in femtosecond pump-probe spectroscopy. The Journal of Chemical Physics. 126: 174104. PMID 17492854 DOI: 10.1063/1.2715593  0.76
2007 Yang M, Lee SY, Zhang DH. Seven-dimensional quantum dynamics study of the O(3P)+CH4 reaction. The Journal of Chemical Physics. 126: 064303. PMID 17313211 DOI: 10.1063/1.2434171  0.56
2006 Ren Z, Che L, Qiu M, Wang X, Dai D, Harich SA, Wang X, Yang X, Xu C, Xie D, Sun Z, Zhang DH. Probing Feshbach resonances in F+H2(j=1)-->HF+H: dynamical effect of single quantum H2-rotation. The Journal of Chemical Physics. 125: 151102. PMID 17059231 DOI: 10.1063/1.2358680  0.76
2006 Zhang L, Lee SY, Zhang DH. A test of the continuous configuration time-dependent self-consistent field (CC-TDSCF) method on the H + CH4 reaction. The Journal of Physical Chemistry. A. 110: 5513-9. PMID 16623484 DOI: 10.1021/Jp0565960  0.56
2006 Qiu M, Ren Z, Che L, Dai D, Harich SA, Wang X, Yang X, Xu C, Xie D, Gustafsson M, Skodje RT, Sun Z, Zhang DH. Observation of Feshbach resonances in the F + H2 --> HF + H reaction. Science (New York, N.Y.). 311: 1440-3. PMID 16527975 DOI: 10.1126/Science.1123452  0.6
2006 Lu Y, Lee SY, Zhang DH. A full dimensional time-dependent wave packet study for the H4 four-center, collision induced dissociation, and single exchange reactions: reaction probabilities for J=0. The Journal of Chemical Physics. 124: 11101. PMID 16409016 DOI: 10.1063/1.2150207  0.56
2006 Ke Z, Lai W, Xie D, Zhang DH. First-principles potential energy surfaces and vibrational states of H/Rh(111) at 0.25 and 1 monolayer coverages Journal of Applied Physics. 99. DOI: 10.1063/1.2199007  0.6
2005 Evenhuis CR, Lin X, Zhang DH, Yarkony D, Collins MA. Interpolation of diabatic potential-energy surfaces: quantum dynamics on ab initio surfaces. The Journal of Chemical Physics. 123: 134110. PMID 16223278 DOI: 10.1063/1.2047569  0.6
2005 Zhang DH, Bao W, Yang M, Lee SY. Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems. The Journal of Chemical Physics. 122: 091101. PMID 15836101 DOI: 10.1063/1.1869496  0.56
2005 Lai W, Xie D, Zhang DH. First-principles study of adsorption of methyl, coadsorption of methyl and hydrogen, and methane dissociation on Ni(1 0 0) Surface Science. 594: 83-92. DOI: 10.1016/J.Susc.2005.07.012  0.6
2004 Zhang DH, Pollak E. Coherent classical-path description of deep tunneling. Physical Review Letters. 93: 140401. PMID 15524770 DOI: 10.1103/Physrevlett.93.140401  0.6
2004 Lai W, Xie D, Yang J, Zhang DH. A first-principles potential energy surface and vibrational states for hydrogen on Cu(100). The Journal of Chemical Physics. 121: 7434-9. PMID 15473816 DOI: 10.1063/1.1796236  0.6
2002 Zhang DH, Yang M, Lee SY. Breakdown of the spectator model for the OH bonds in studying the H+H2O reaction. Physical Review Letters. 89: 103201. PMID 12225190 DOI: 10.1103/Physrevlett.89.103201  0.56
2002 Zhang DH, Yang M, Collins MA, Lee SY. Probing the transition state via photoelectron and photodetachment spectroscopy of H(3)O(-). Proceedings of the National Academy of Sciences of the United States of America. 99: 11579-82. PMID 12186977 DOI: 10.1073/Pnas.182297599  0.56
2000 Zhang DH, Collins MA, Lee SY. First-principles theory for the H + H2O, D2O reactions. Science (New York, N.Y.). 290: 961-3. PMID 11062123 DOI: 10.1126/Science.290.5493.961  0.56
1998 Light JC, Zhang DH. The quantum transition state wavepacket method Faraday Discussions. 110: 105-118. DOI: 10.1039/A801188E  0.6
1997 Zhang DH, Light JC. The cumulative reaction probability for the H2 + OH reaction Journal of Chemical Physics. 106: 551-563. DOI: 10.1063/1.473394  0.6
1997 Zhang DH, Light JC. Mode specificity in the H + HOD reaction: Full-dimensional quantum study Journal of the Chemical Society - Faraday Transactions. 93: 691-697. DOI: 10.1039/A605888D  0.6
1996 Zhang DH, Light JC. Quantum state-to-state reaction probabilities for the H+H2O→H2+OH reaction in six dimensions Journal of Chemical Physics. 105: 1291-1294. DOI: 10.1063/1.471994  0.6
1996 Zhang DH, Light JC. A six dimensional quantum study for atom-triatom reactions: The H+H2O→H2+OH reaction Journal of Chemical Physics. 104: 4544-4553. DOI: 10.1063/1.471203  0.6
1995 Zhang DH, Light JC. Potential inversion via variational generalized inverse The Journal of Chemical Physics. 103: 9713-9720. DOI: 10.1063/1.469934  0.6
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