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Dong Hui Zhang - Publications

Affiliations: 
2004- Dalian Institute of Chemical Physics 
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250 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
2024 Liu S, Zhang Z, Chen J, Zhang DH. Isotope Effect and Heavy-Light-Heavy Reactivity Oscillation in the Cl + CHD/CHT Reaction. The Journal of Physical Chemistry. A. PMID 38315118 DOI: 10.1021/acs.jpca.3c07348  0.391
2024 Xu X, Liu S, Chen J, Zhang DH. High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction. The Journal of Chemical Physics. 160. PMID 38265082 DOI: 10.1063/5.0187094  0.522
2023 Fu B, Zhang DH. Accurate fundamental invariant-neural network representation of potential energy surfaces. National Science Review. 10: nwad321. PMID 38274241 DOI: 10.1093/nsr/nwad321  0.373
2023 Xu X, Chen J, Liu S, Zhang DH. Differential Cross Sections for the H + HS → H + SH Reaction: A Full-Dimensional State-to-State Quantum Dynamics Study. The Journal of Physical Chemistry. A. PMID 37921345 DOI: 10.1021/acs.jpca.3c05844  0.527
2023 Zhang Z, Wu H, Chen Z, Fu Y, Fu B, Zhang DH, Yang X, Yuan K. Multiple Dissociation Pathways in HNCO Decomposition Governed by Potential Energy Surface Topography. Jacs Au. 3: 2855-2861. PMID 37885590 DOI: 10.1021/jacsau.3c00414  0.323
2023 Wu H, Fu Y, Fu B, Zhang DH. Roaming Dynamics in Hydroxymethyl Hydroperoxide Decomposition Revealed by the Full-Dimensional Potential Energy Surface of the CHOO + HO Reaction. The Journal of Physical Chemistry. A. PMID 37870501 DOI: 10.1021/acs.jpca.3c05818  0.399
2023 Liu S, Chen J, Zhang X, Zhang DH. Feshbach resonances in the F + CHD → HF + CD reaction. Chemical Science. 14: 7973-7979. PMID 37502322 DOI: 10.1039/d3sc02629a  0.454
2023 Liu T, Fu B, Zhang DH. Mode specificity of water dissociating on Ni(100): An approximate full-dimensional quantum dynamics study. The Journal of Chemical Physics. 158. PMID 37272570 DOI: 10.1063/5.0153538  0.33
2023 Wu H, Fu Y, Dong W, Fu B, Zhang DH. Full-dimensional neural network potential energy surface and dynamics of the CHOO + HO reaction. Rsc Advances. 13: 13397-13404. PMID 37143908 DOI: 10.1039/d3ra02069j  0.412
2023 Zhou Y, Fang W, Wang L, Zeng X, Zhang DH, Zhou M. Quantum Tunneling in Peroxide O-O Bond Breaking Reaction. Journal of the American Chemical Society. PMID 37070757 DOI: 10.1021/jacs.3c02750  0.526
2023 Wang Y, Huang J, Wang W, Du T, Xie Y, Ma Y, Xiao C, Zhang Z, Zhang DH, Yang X. Stereodynamical control of the H + HD → H + D reaction through HD reagent alignment. Science (New York, N.Y.). 379: 191-195. PMID 36634162 DOI: 10.1126/science.ade7471  0.388
2022 Luan Z, Fu Y, Tan Y, Wang Y, Shan B, Li J, Zhou X, Chen W, Liu L, Fu B, Zhang DH, Yang X, Wang X. Observation of Competitive Nonadiabatic Photodissociation Dynamics of HS Cations. The Journal of Physical Chemistry Letters. 8157-8162. PMID 36001649 DOI: 10.1021/acs.jpclett.2c01892  0.305
2022 Lu X, Shang C, Li L, Chen R, Fu B, Xu X, Zhang DH. Unexpected steric hindrance failure in the gas phase F + (CH)CI S2 reaction. Nature Communications. 13: 4427. PMID 35907925 DOI: 10.1038/s41467-022-32191-6  0.404
2022 Xu X, Chen J, Lu X, Fang W, Liu S, Zhang DH. Strong non-Arrhenius behavior at low temperatures in the OH + HCl → HO + Cl reaction due to resonance induced quantum tunneling. Chemical Science. 13: 7955-7961. PMID 35865883 DOI: 10.1039/d2sc01958b  0.522
2022 Lu X, Li L, Zhang X, Fu B, Xu X, Zhang DH. Dynamical Effects of S2 Reactivity Suppression by Microsolvation: Dynamics Simulations of the F(HO) + CHI Reaction on a 21-Dimensional Potential Energy Surface. The Journal of Physical Chemistry Letters. 5253-5259. PMID 35674277 DOI: 10.1021/acs.jpclett.2c01323  0.416
2021 Yang S, Zhang Z, Zhang DH. A full-dimensional ab initio potential energy and dipole moment surfaces for (NH). The Journal of Chemical Physics. 155: 164306. PMID 34717358 DOI: 10.1063/5.0072063  0.303
2021 Shang C, Chen J, Xu X, Liu S, Li L, Duo L, Zhang DH. Quantum Wave Packet Study of the H + Br → HBr + Br Reaction on a New Ab Initio Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 34383502 DOI: 10.1021/acs.jpca.1c05867  0.589
2021 Liu S, Zhang X, Chen J, Zhang DH. Feshbach Resonances in the Vibrationally Excited F + HOD(/ = 1) Reaction Due to Chemical Bond Softening. The Journal of Physical Chemistry Letters. 6090-6094. PMID 34170706 DOI: 10.1021/acs.jpclett.1c01586  0.4
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  0.334
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  0.515
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  0.323
2021 Huang J, Kendrick BK, Zhang DH. Mechanistic Insights into Ultracold Chemical Reactions under the Control of the Geometric Phase. The Journal of Physical Chemistry Letters. 2160-2165. PMID 33626281 DOI: 10.1021/acs.jpclett.1c00133  0.349
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  0.365
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  0.337
2020 Fu YL, Lu X, Han YC, Fu B, Zhang DH, Bowman JM. Collision-induced and complex-mediated roaming dynamics in the H + CH → H + CH reaction. Chemical Science. 11: 2148-2154. PMID 34123304 DOI: 10.1039/c9sc05951b  0.533
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  0.3
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  0.437
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  0.368
2020 Huang J, Zhang DH. An efficient way to incorporate the geometric phase in the time-dependent wave packet calculations in a diabatic representation. The Journal of Chemical Physics. 153: 141102. PMID 33086804 DOI: 10.1063/5.0028035  0.34
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  0.426
2020 Zhang Z, Gatti F, Zhang DH. Full-dimensional quantum mechanical calculations of the reaction probability of the H + CH reaction based on a mixed Jacobi and Radau description. The Journal of Chemical Physics. 152: 201101. PMID 32486690 DOI: 10.1063/5.0009721  0.365
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  0.336
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  0.53
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  0.525
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  0.484
2020 Bastian B, Michaelsen T, Li L, Oncak M, Meyer J, Zhang D, Wester R. Imaging Reaction Dynamics of F-(H2O) and Cl-(H2O) with CH3I. The Journal of Physical Chemistry. A. PMID 32050071 DOI: 10.1021/acs.jpca.0c00098  0.353
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  0.533
2020 Fu Y, Lu X, Han Y, Fu B, Zhang DH, Bowman JM. Collision-induced and complex-mediated roaming dynamics in the H + C2H4 → H2 + C2H3 reaction Chemical Science. 11: 2148-2154. DOI: 10.1039/C9Sc05951B  0.546
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  0.389
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  0.436
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  0.537
2019 Zhang Z, Gatti F, Zhang DH. Full dimensional quantum mechanical calculations of the reaction probability of the H + NH collision based on a mixed Jacobi and Radau description. The Journal of Chemical Physics. 150: 204301. PMID 31153169 DOI: 10.1063/1.5096047  0.508
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  0.646
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  0.522
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  0.513
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  0.412
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  0.447
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  0.514
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  0.539
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  0.449
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  0.413
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  0.533
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  0.522
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  0.312
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  0.444
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  0.523
2018 Guan Y, Yang S, Zhang D. Application of Clustering Algorithms to Partitioning Configuration Space in Fitting Reactive Potential Energy Surfaces. The Journal of Physical Chemistry. A. PMID 29513015 DOI: 10.1021/Acs.Jpca.8B00859  0.4
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  0.353
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  0.467
2018 Guan Y, Yang S, Zhang DH. Construction of reactive potential energy surfaces with Gaussian process regression: active data selection Molecular Physics. 116: 823-834. DOI: 10.1080/00268976.2017.1407460  0.349
2018 Sun P, Chen J, Liu S, Zhang DH. Accurate integral cross sections for the H + CO2 → OH + CO reaction Chemical Physics Letters. 706: 675-679. DOI: 10.1016/J.Cplett.2018.07.025  0.598
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  0.404
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  0.338
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  0.581
2017 Shen X, Zhang Z, Zhang DH. Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study. The Journal of Chemical Physics. 147: 024702. PMID 28711064 DOI: 10.1063/1.4991562  0.417
2017 Zhang D, Yang J, Chen Z, Chen R, Jiang B, Dai D, Wu G, Zhang D, Yang X. CH stretching excitation promotes its cleavage in the F + CHD3(ν1 = 1) → HF + CD3 reaction at low collision energies. Physical Chemistry Chemical Physics : Pccp. PMID 28484767 DOI: 10.1039/C7Cp01428G  0.488
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  0.481
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  0.456
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  0.473
2017 Zhao Z, Liu S, Zhang DH. 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: 16-24. DOI: 10.1063/1674-0068/30/Cjcp1608163  0.512
2017 Sun P, Chen J, Liu S, Zhang DH. A full-dimensional time-dependent wave packet study of the H + CO2→ OH + CO reaction Chemical Physics Letters. 683: 352-356. DOI: 10.1016/J.Cplett.2017.02.083  0.563
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  0.401
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  0.443
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  0.531
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  0.403
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  0.46
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  0.483
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  0.468
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  0.456
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  0.457
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  0.533
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  0.57
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  0.426
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  0.456
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  0.535
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  0.473
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  0.526
2015 Shen X, Zhang Z, Zhang DH. CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion. Physical Chemistry Chemical Physics : Pccp. 17: 25499-504. PMID 26364792 DOI: 10.1039/C5Cp04229A  0.413
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  0.504
2015 Yang J, Zhang D, Chen Z, Blauert F, Jiang B, Dai D, Wu G, Zhang D, Yang X. Effect of CH stretching excitation on the reaction dynamics of F + CHD3 → DF + CHD2. The Journal of Chemical Physics. 143: 044316. PMID 26233138 DOI: 10.1063/1.4927504  0.467
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  0.611
2015 Liang Y, Zhang DY, Ouyang S, Xie J, Wu Q, Wang Z, Cui Y, Lu P, Zhang D, Liu ZJ, Zhu J, Chen YX, Zhang Y, Luo MC, Dvorak J, et al. Dynamic evolution of resistance gene analogs in the orthologous genomic regions of powdery mildew resistance gene MlIW170 in Triticum dicoccoides and Aegilops tauschii. Tag. Theoretical and Applied Genetics. Theoretische Und Angewandte Genetik. 128: 1617-29. PMID 25993896 DOI: 10.1007/s00122-015-2536-7  0.429
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  0.565
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  0.559
2015 Wu QH, Chen YX, Zhou SH, Fu L, Chen JJ, Xiao Y, Zhang D, Ouyang SH, Zhao XJ, Cui Y, Zhang DY, Liang Y, Wang ZZ, Xie JZ, Qin JX, et al. High-density genetic linkage map construction and QTL mapping of grain shape and size in the wheat population Yanda1817 × Beinong6. Plos One. 10: e0118144. PMID 25675376 DOI: 10.1371/Journal.Pone.0118144  0.425
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  0.56
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  0.558
2015 Shao K, Fu B, Zhang DH. Quasiclassical Trajectory Study of the Reaction of CD4 with O(1D) Chinese Journal of Chemical Physics. 28: 403-408. DOI: 10.1063/1674-0068/28/Cjcp1507152  0.411
2015 Yang TG, Huang L, Xie YR, Wang T, Xiao CL, Sun ZG, Dai DX, Chen MD, Zhang DH, Yang XM. Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H Chinese Journal of Chemical Physics. 28: 471-475. DOI: 10.1063/1674-0068/28/Cjcp1505111  0.443
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  0.43
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  0.421
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. The Journal of Physical Chemistry Letters. 5: 1055-60. PMID 26274448 DOI: 10.1021/Jz500227D  0.515
2014 Yang J, Zhang D, Jiang B, Dai D, Wu G, Zhang D, Yang X. How Is C-H Vibrational Energy Redistributed in F + CHD3(ν1 = 1) → HF + CD3? The Journal of Physical Chemistry Letters. 5: 1790-4. PMID 26273855 DOI: 10.1021/Jz5007252  0.478
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  0.598
2014 Zhou Y, Zhang DH. Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces. The Journal of Chemical Physics. 141: 194307. PMID 25416891 DOI: 10.1063/1.4902005  0.651
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  0.477
2014 Zhang Z, Zhang DH. Effects of reagent rotational excitation on the H + CHD₃ → H₂ + CD₃ reaction: a seven dimensional time-dependent wave packet study. The Journal of Chemical Physics. 141: 144309. PMID 25318724 DOI: 10.1063/1.4897308  0.427
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  0.384
2014 Koch W, Zhang DH. Communication: separable potential energy surfaces from multiplicative artificial neural networks. The Journal of Chemical Physics. 141: 021101. PMID 25027992 DOI: 10.1063/1.4887508  0.394
2014 Ouyang S, Zhang D, Han J, Zhao X, Cui Y, Song W, Huo N, Liang Y, Xie J, Wang Z, Wu Q, Chen YX, Lu P, Zhang DY, Wang L, et al. Fine physical and genetic mapping of powdery mildew resistance gene MlIW172 originating from wild emmer (Triticum dicoccoides). Plos One. 9: e100160. PMID 24955773 DOI: 10.1371/journal.pone.0100160  0.425
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  0.567
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  0.766
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  0.441
2014 Pan H, Yang J, Shuai Q, Zhang D, Zhang W, Wu G, Dai D, Jiang B, Zhang D, Yang X. Velocity map imaging study of the reaction dynamics of the H + CH4 → H2 + CH3 reaction: the isotope effects. The Journal of Physical Chemistry. A. 118: 2426-30. PMID 24635648 DOI: 10.1021/Jp501681H  0.459
2014 Xu X, Chen J, Zhang DH. Global Potential Energy Surface for the H+CH4↔H2+CH3 Reaction using Neural Networks Chinese Journal of Chemical Physics. 27: 373-379. DOI: 10.1063/1674-0068/27/04/373-379  0.53
2014 Pan H, Yang J, Zhang D, Shuai Q, Dai D, Wu G, Jiang B, Yang X. Effect of antisymmetric C–H stretching excitation on the dynamics of O(1D) + CH4 → OH + CH3 The Journal of Chemical Physics. 140: 154305. DOI: 10.1063/1.4871135  0.44
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  0.375
2014 Liu S, Chen J, Fu B, Zhang DH. State-to-state quantum versus classical dynamics study of the OH + CO → H + CO2 reaction in full dimensions (J = 0): checking the validity of the quasi-classical trajectory method Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1558-6  0.585
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  0.541
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  0.314
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  0.537
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  0.548
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  0.521
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  0.57
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  0.544
2013 Yang X, Zhang DH. Probing Quantum Dynamics of Elementary Chemical Reactions via Accurate Potential Energy Surfaces Zeitschrift FüR Physikalische Chemie. 227. DOI: 10.1524/zpch.2013.0424  0.355
2012 Zhang Z, Zhou Y, Zhang DH, Czakó G, Bowman JM. Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction. The Journal of Physical Chemistry Letters. 3: 3416-9. PMID 26290965 DOI: 10.1021/Jz301649W  0.725
2012 Shuai Q, Pan H, Yang J, Zhang D, Jiang B, Dai D, Yang X. Imaging the O((1)D) + CD4 → OD + CD3 Reaction Dynamics: The Threshold of Abstraction Pathway. The Journal of Physical Chemistry Letters. 3: 1310-4. PMID 26286775 DOI: 10.1021/Jz300453F  0.435
2012 Shuai Q, Pan H, Yang J, Zhang D, Jiang B, Dai D, Yang X. Imaging the O(1D) + CD4 → OD + CD3 reaction dynamics: probing vibrationally and rotationally excited CD3 products. The Journal of Chemical Physics. 137: 224301. PMID 23248997 DOI: 10.1063/1.4767397  0.355
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  0.587
2012 Frankcombe TJ, Collins MA, Zhang DH. Modified Shepard interpolation of gas-surface potential energy surfaces with strict plane group symmetry and translational periodicity. The Journal of Chemical Physics. 137: 144701. PMID 23061855 DOI: 10.1063/1.4757149  0.361
2012 Yang X, Minton TK, Zhang DH. Chemistry. Rethinking chemical reactions at hyperthermal energies. Science (New York, N.Y.). 336: 1650-1. PMID 22745412 DOI: 10.1126/Science.1223680  0.469
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  0.471
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  0.504
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  0.572
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  0.445
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  0.47
2012 Wang C, Zhang DH. Accuracy of Low-level Surface in Hierarchical Construction of Potential Energy Surface Chinese Journal of Chemical Physics. 25: 186-190. DOI: 10.1088/1674-0068/25/02/186-190  0.407
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  0.39
2012 Yu S, Yuan K, Song H, Xu X, Dai D, Zhang DH, Yang X. State-to-state differential cross-sections for the reactive scattering of H*(n) with o-D2 Chemical Science. 3: 2839. DOI: 10.1039/C2Sc20489D  0.489
2012 Fu B, Zhou Y, Zhang DH. Shape resonance in the H + D2O → D + HOD reaction: a full-dimensional quantum dynamics study Chem. Sci.. 3: 270-274. DOI: 10.1039/C1Sc00684C  0.504
2012 Wang C, Liu S, Zhang DH. Effects of reagent vibrational excitation on the state-to-state quantum dynamics of the OH+CO→H+CO2 reaction in six dimensions (J=0) Chemical Physics Letters. 537: 16-20. DOI: 10.1016/J.Cplett.2012.04.006  0.515
2012 Liu S, Xu X, Zhang DH. A full-dimensional time-dependent wave packet study of the OH + CO → H + CO2 reaction Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-011-1068-8  0.521
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  0.46
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  0.588
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  0.559
2011 Zhou Y, Wang C, Zhang DH. Effects of reagent vibrational excitation on the dynamics of the H + CHD3 → H2 + CD3 reaction: a seven-dimensional time-dependent wave packet study. The Journal of Chemical Physics. 135: 024313. PMID 21766948 DOI: 10.1063/1.3609923  0.685
2011 Xiahou C, Connor JN, Zhang DH. Rainbows and glories in the angular scattering of the state-to-state F + H2 reaction at E(trans)=0.04088 eV. Physical Chemistry Chemical Physics : Pccp. 13: 12981-97. PMID 21695346 DOI: 10.1039/C1Cp21044K  0.452
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  0.633
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  0.667
2011 Bonnet L, Espinosa-García J, Corchado JC, Liu S, Zhang DH. Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH + D2: Checking the validity of the QCT method Chemical Physics Letters. 516: 137-140. DOI: 10.1016/J.Cplett.2011.09.086  0.482
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  0.596
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  0.786
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  0.47
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  0.517
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  0.414
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  0.545
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  0.594
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  0.555
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  0.523
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  0.344
2009 Sun Z, Lee S, Guo H, Zhang DH. Erratum: “Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations” [J. Chem. Phys. 130, 174102 (2009)] The Journal of Chemical Physics. 131: 049906. DOI: 10.1063/1.3188777  0.449
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  0.5
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  0.592
2008 Yang X, Zhang DH. Dynamical resonances in the fluorine atom reaction with the hydrogen molecule. Accounts of Chemical Research. 41: 981-9. PMID 18710199 DOI: 10.1021/Ar700258G  0.503
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  0.538
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  0.492
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  0.509
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  0.308
2008 Pollak E, Shao J, Zhang DH. Effects of initial correlations on the dynamics of dissipative systems. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 021107. PMID 18351987 DOI: 10.1103/Physreve.77.021107  0.343
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  0.604
2008 FU B, ZHOU Y, ZHANG DH. A STATE-TO-STATE QUANTUM DYNAMICAL STUDY OF THE H + HBr REACTION Journal of Theoretical and Computational Chemistry. 7: 777-791. DOI: 10.1142/S0219633608004209  0.519
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  0.478
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  0.436
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  0.452
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  0.307
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  0.502
2007 Wang L, Yang M, McKellar AR, Zhang DH. Spectroscopy and potential energy surface of the H2-CO2 van der Waals complex: experimental and theoretical studies. Physical Chemistry Chemical Physics : Pccp. 9: 131-7. PMID 17164895 DOI: 10.1039/B614849B  0.444
2007 Xu C, Xie D, Zhang DH, Lin SY, Guo H. A new ab initio potential-energy surface of HO2(X2A") and quantum studies of HO2 vibrational spectrum and rate constants for the H + O2 <--> O + OH reactions. The Journal of Chemical Physics. 122: 244305. PMID 16035755 DOI: 10.1063/1.1944290  0.566
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  0.471
2006 Zhang DH. State-to-state quantum reactive scattering for four-atom chemical reactions: differential cross section for the H+H2O-->H2+OH abstraction reaction. The Journal of Chemical Physics. 125: 133102. PMID 17029428 DOI: 10.1063/1.2217439  0.493
2006 Zhou Y, Xie D, Zhang DH. A three-dimensional ab initio potential energy surface and predicted infrared spectra for the He-N2O complex. The Journal of Chemical Physics. 124: 144317. PMID 16626206 DOI: 10.1063/1.2189227  0.451
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  0.415
2006 Yuan K, Cheng Y, Liu X, Harich S, Yang X, Zhang DH. Experimental and quantum dynamical study on an asymmetric insertion reaction: state-to-state dynamics of O(1D) + HD(1Sigmag+, v' = 0, j' = 0)-->OH(Pi, v", N") + D(2S). Physical Review Letters. 96: 103202. PMID 16605732 DOI: 10.1103/Physrevlett.96.103202  0.52
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  0.378
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  0.457
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  0.323
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  0.444
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  0.375
2005 Lu Y, Zhang DH, Lee S. A time-dependent wave packet study of the H4 four-center reaction Chemical Physics. 308: 217-224. DOI: 10.1016/J.Chemphys.2004.06.067  0.485
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  0.36
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  0.428
2003 Brouard M, Burak I, Marinakis S, Minayev D, O'Keeffe P, Vallance C, Aoiz FJ, Bañares L, Castillo JF, Zhang DH, Xie D, Yang M, Lee SY, Collins MA. Cross section for the H+H2O abstraction reaction: experiment and theory. Physical Review Letters. 90: 093201. PMID 12689220 DOI: 10.1103/Physrevlett.90.093201  0.525
2003 Yeh K, Xie D, Zhang DH, Lee S, Schinke R. Time-dependent wave packet study of the O+O2 (υ=0,j=0) exchange reaction Journal of Physical Chemistry A. 107: 7215-7219. DOI: 10.1021/Jp034471U  0.486
2002 Zhang DH, Xie D, Yang M, Lee SY. State-to-State integral cross section for the H+H2O-->H2+OH abstraction reaction. Physical Review Letters. 89: 283203. PMID 12513143 DOI: 10.1103/Physrevlett.89.283203  0.528
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  0.381
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  0.463
2002 Yang M, Zhang DH, Lee S. A seven-dimensional quantum study of the H+CH4 reaction Journal of Chemical Physics. 117: 9539-9542. DOI: 10.1063/1.1524181  0.421
2002 Zhang DH, Yang M, Lee S. Accuracy of the centrifugal sudden approximation in the H+H2O reaction and accurate integral cross sections for the H+H2O→H2+OH abstraction reaction Journal of Chemical Physics. 117: 10067-10072. DOI: 10.1063/1.1519009  0.48
2002 Zhang DH, Yang M, Lee S. Quantum dynamics of the D2+OH reaction Journal of Chemical Physics. 116: 2388-2394. DOI: 10.1063/1.1433962  0.451
2001 Zhang DH, Yang M, Lee S. Branching ratio in the HD+OH reaction: A full-dimensional quantum dynamics study on a new ab initio potential energy surface Journal of Chemical Physics. 114: 8733-8736. DOI: 10.1063/1.1372711  0.504
2001 Yang M, Zhang DH, Collins MA, Lee S. Ab initio potential-energy surfaces for the reactions OH+H2↔H2O+H Journal of Chemical Physics. 115: 174-178. DOI: 10.1063/1.1372335  0.47
2001 Li YM, Wang ML, Zhang JZH, Zhang DH. Semirigid vibrating rotor target calculation for reaction H+HOD→H2+OD, HD+OH Journal of Chemical Physics. 114: 7013-7017. DOI: 10.1063/1.1359447  0.536
2001 Yang M, Zhang DH, Collins MA, Lee S. Quantum dynamics on new potential energy surfaces for the H2+OH→H2O+H reaction Journal of Chemical Physics. 114: 4759-4762. DOI: 10.1063/1.1354145  0.535
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  0.506
2000 Wang ML, Li Y, Zhang JZH, Zhang DH. Application of semirigid vibrating rotor target model to reaction of H+CH4→CH3+H2 Journal of Chemical Physics. 113: 1802-1806. DOI: 10.1063/1.482013  0.653
2000 Bettens RPA, Collins MA, Jordan MJT, Zhang DH. Ab initio potential energy surface for the reactions between H2O and H The Journal of Chemical Physics. 112: 10162-10172. DOI: 10.1063/1.481657  0.44
2000 Zhang DH, Lee S, Baer M. Quantum mechanical integral cross sections and rate constants for the F¿HD reactions Journal of Chemical Physics. 112: 9802-9809. DOI: 10.1063/1.481618  0.455
2000 Zhang DH, Lee S. Effects of reagent rotation and the accuracy of the centrifugal sudden approximation in the H2+CN reaction Journal of Chemical Physics. 112: 203-211. DOI: 10.1063/1.480572  0.45
2000 Peng T, Zhang DH, Wang DY, Li YM, Zhang JZH. Dynasol: A visual quantum dynamics package Computer Physics Communications. 128: 492-495. DOI: 10.1016/S0010-4655(99)00541-X  0.303
2000 Zhang JZH, Zhang DH. Quantum wavepacket approach to chemical reaction dynamics. Perspective on “Dynamics of the collinear H + H2 reaction. I. Probability density and flux” Theoretical Chemistry Accounts. 103: 300-305. DOI: 10.1007/978-3-662-10421-7_41  0.439
1999 Collins MA, Zhang DH. Application of interpolated potential energy surfaces to quantum reactive scattering Journal of Chemical Physics. 111: 9924-9931. DOI: 10.1063/1.480344  0.472
1999 Zhang DH, Light JC, Lee SY. Transition state wave packet study of hydrogen diffusion on Cu(100) surface Journal of Chemical Physics. 111: 5741-5753. DOI: 10.1063/1.479870  0.599
1999 Zhang DH, Zhang JZH. Uniform J-shifting approach for calculating reaction rate constant The Journal of Chemical Physics. 110: 7622-7626. DOI: 10.1063/1.478802  0.459
1999 Zhang DH, Lee S. Fully converged integral cross sections of diatom-diatom reactions and the accuracy of the centrifugal sudden approximation in the H2+OH reaction Journal of Chemical Physics. 110: 4435-4444. DOI: 10.1063/1.478327  0.505
1998 Zhang DH, Lee S. Effects of reagent rotation on the dynamics of the H2+OH reaction: A full dimension quantum study Journal of Chemical Physics. 109: 2708-2716. DOI: 10.1063/1.476881  0.474
1998 Zhang DH, Light JC, Lee SY. Quantum rate constants for the H2+OH reaction with the centrifugal sudden approximation Journal of Chemical Physics. 109: 79-86. DOI: 10.1063/1.476542  0.613
1998 Zhu W, Zhang JZH, Zhang YC, Zhang YB, Zhan LX, Zhang SL, Zhang DH. Quantum dynamics study of H2+CN → HCN+H reaction in full dimensions Journal of Chemical Physics. 108: 3509-3516. DOI: 10.1063/1.475777  0.543
1998 Light JC, Zhang DH. The quantum transition state wavepacket method Faraday Discussions. 110: 105-118. DOI: 10.1039/A801188E  0.657
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  0.654
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  0.706
1997 Zhang Y, Zhang Y, Zhang D, Zhang Q, Zhang DH, Zhang JZH. Quantum dynamics study for reaction of H2 + OD→H + HOD Chinese Science Bulletin. 42: 116-120. DOI: 10.1007/Bf03182781  0.433
1996 Zhu W, Dai J, Zhang JZH, Zhang DH. State-to-state time-dependent quantum calculation for reaction H2+OH→H+H2O in six dimensions Journal of Chemical Physics. 105: 4881-4884. DOI: 10.1063/1.472324  0.55
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  0.667
1996 Zhang DH, Light JC. Cumulative reaction probability via transition state wave packets Journal of Chemical Physics. 104: 6184-6191. DOI: 10.1063/1.471302  0.624
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  0.709
1996 Peng T, Zhang DH, Zhang JZH, Schinke R. Reaction of O(1D) + H2 → HO + H. A three-dimensional quantum dynamics study Chemical Physics Letters. 248: 37-42. DOI: 10.1016/0009-2614(95)01285-0  0.536
1995 Zhang DH, Zhang JZH. Quantum calculations of reaction probabilities for HO + CO→ H + CO2 and bound states of HOCO The Journal of Chemical Physics. 103: 6512-6519. DOI: 10.1063/1.470377  0.519
1995 Zhang DH, Light JC. Potential inversion via variational generalized inverse The Journal of Chemical Physics. 103: 9713-9720. DOI: 10.1063/1.469934  0.554
1995 Wu Q, Zhang DH, Zhang JZH. 6D quantum calculation of energy levels for HF stretching excited (HF)2 The Journal of Chemical Physics. 103: 2548-2554. DOI: 10.1063/1.469676  0.459
1995 von Dirke M, Bačić Z, Zhang DH, Zhang JZH. Vibrational predissociation of HF dimer in νHF=1: Influence of initially excited intermolecular vibrations on the fragmentation dynamics The Journal of Chemical Physics. 102: 4382-4389. DOI: 10.1063/1.469487  0.41
1995 Zhang DH, Wu Q, Zhang JZH. A time‐dependent approach to flux calculation in molecular photofragmentation: Vibrational predissociation of HF–DF The Journal of Chemical Physics. 102: 124-132. DOI: 10.1063/1.469382  0.335
1995 Zhang DH, Zhang JZH, Zhang Y, Wang D, Zhang Q. Quantum dynamics study of the reaction HD+OH→H+DOH, D+HOH The Journal of Chemical Physics. 102: 7400-7408. DOI: 10.1063/1.469052  0.72
1995 Zhang DH, Wu Q, Zhang JZH, von Dirke M, Bačić Z. Exact full‐dimensional bound state calculations for (HF)2, (DF)2, and HFDF The Journal of Chemical Physics. 102: 2315-2325. DOI: 10.1063/1.468719  0.451
1995 Zhang Y, Zhang D, Li W, Zhang Q, Wang D, Zhang DH, Zhang JZH. Quantum Dynamics Study for D2 + OH Reaction The Journal of Physical Chemistry. 99: 16824-16828. DOI: 10.1021/J100046A006  0.709
1995 Zhang DH, Zhang JZ. Accurate time-dependent quantum scattering calculation for diatom-diatom reaction with branching: HD + OH → H + DOH, D + HOH Chemical Physics Letters. 232: 370-373. DOI: 10.1016/0009-2614(94)01359-4  0.527
1994 Zhang DH, Zhang JZH. Full‐dimensional time‐dependent treatment for diatom–diatom reactions: The H2+OH reaction The Journal of Chemical Physics. 101: 1146-1156. DOI: 10.1063/1.467808  0.529
1994 Zhang DH, Zhang JZH. Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O2reaction and bound state characterization for HO2 The Journal of Chemical Physics. 101: 3671-3678. DOI: 10.1063/1.467551  0.526
1994 Cai ZT, Zhang DH, Zhang JZH. Quantum dynamical studies for photodissociation of H2O2 at 248 and 266 nm The Journal of Chemical Physics. 100: 5631-5638. DOI: 10.1063/1.467130  0.399
1994 Zhang DH, Zhang JZH. Accurate quantum calculations for H2+OH→H2O+H: Reaction probabilities, cross sections, and rate constants The Journal of Chemical Physics. 100: 2697-2706. DOI: 10.1063/1.466464  0.507
1993 Zhang DH, Zhang JZH. Accurate quantum calculation for the benchmark reaction H2+OH→H2O +H in five‐dimensional space: Reaction probabilities for J=0 The Journal of Chemical Physics. 99: 5615-5618. DOI: 10.1063/1.465954  0.52
1993 Zhang DH, Zhang JZH. Photofragmentation of HF dimer: Quantum dynamics studies on ab initio potential energy surfaces The Journal of Chemical Physics. 99: 6624-6633. DOI: 10.1063/1.465854  0.454
1993 Zhang DH, Zhang JZH. Total and partial decay widths in vibrational predissociation of HF dimer The Journal of Chemical Physics. 98: 5978-5981. DOI: 10.1063/1.464858  0.423
1993 Zhang DH, Zhang JZH. Quantum mechanical calculation for photodissociation of hydrogen peroxide The Journal of Chemical Physics. 98: 6276-6283. DOI: 10.1063/1.464822  0.449
1992 Zhang DH, Zhang JZH, Bačić Z. A time‐dependent golden rule wave packet calculation for vibrational predissociation of D2HF The Journal of Chemical Physics. 97: 927-934. DOI: 10.1063/1.463964  0.371
1992 Zhang DH, Zhang JZH, Bac̆ić Z. A time‐dependent calculation for vibrational predissociation of H2HF The Journal of Chemical Physics. 97: 3149-3156. DOI: 10.1063/1.463939  0.436
1992 Zhang DH, Zhang JZH. An efficient time-dependent Golden Rule treatment for three-dimensional vibrational predissociation of helium diiodide The Journal of Physical Chemistry. 96: 1575-1578. DOI: 10.1021/J100183A017  0.382
1992 Zhang DH, Zhang JZ, Bačić Z. Mode-specific decay widths in vibrational predissociation of D2HF Chemical Physics Letters. 194: 313-317. DOI: 10.1016/0009-2614(92)86057-O  0.355
1992 Zhang DH, Zhang JZ. Vibrational predissociation in HD—HF Chemical Physics Letters. 199: 187-190. DOI: 10.1016/0009-2614(92)80067-L  0.406
1991 Zhang DH, Zhang JZH. Time‐dependent treatment of vibrational predissociation within the golden rule approximation The Journal of Chemical Physics. 95: 6449-6455. DOI: 10.1063/1.461565  0.356
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