| Year |
Citation |
Score |
| 2024 |
Li S, Huang J, Lu Z, Shu Y, Chen W, Yuan D, Wang T, Fu B, Zhang Z, Wang X, Zhang DH, Yang X. Observation of geometric phase effect through backward angular oscillations in the H + HD → H + D reaction. Nature Communications. 15: 1698. PMID 38402199 DOI: 10.1038/s41467-024-45843-6 |
0.415 |
|
| 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 |
0.444 |
|
| 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 |
0.552 |
|
| 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 |
0.362 |
|
| 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 |
0.514 |
|
| 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 |
0.314 |
|
| 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 |
0.387 |
|
| 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 |
0.441 |
|
| 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 |
0.319 |
|
| 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 |
0.399 |
|
| 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 |
0.519 |
|
| 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 |
0.376 |
|
| 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 |
0.394 |
|
| 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 |
0.509 |
|
| 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 |
0.405 |
|
| 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 |
0.574 |
|
| 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 |
0.389 |
|
| 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 |
0.335 |
|
| 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 |
0.502 |
|
| 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 |
0.35 |
|
| 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 |
0.366 |
|
| 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 |
0.524 |
|
| 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 |
0.369 |
|
| 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 |
0.414 |
|
| 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 |
0.366 |
|
| 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 |
0.519 |
|
| 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 |
0.515 |
|
| 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 |
0.354 |
|
| 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 |
0.523 |
|
| 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 |
0.54 |
|
| 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 |
0.525 |
|
| 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 |
0.509 |
|
| 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 |
0.634 |
|
| 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 |
0.503 |
|
| 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 |
0.528 |
|
| 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 |
0.405 |
|
| 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 |
0.524 |
|
| 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 |
0.51 |
|
| 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 |
0.307 |
|
| 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 |
0.43 |
|
| 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 |
0.514 |
|
| 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 |
0.392 |
|
| 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 |
0.348 |
|
| 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 |
0.458 |
|
| 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 |
0.585 |
|
| 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 |
0.396 |
|
| 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 |
0.327 |
|
| 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 |
0.571 |
|
| 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 |
0.409 |
|
| 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 |
0.489 |
|
| 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 |
0.479 |
|
| 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 |
0.474 |
|
| 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 |
0.553 |
|
| 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 |
0.451 |
|
| 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 |
0.474 |
|
| 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 |
0.459 |
|
| 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 |
0.448 |
|
| 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 |
0.523 |
|
| 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 |
0.56 |
|
| 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 |
0.525 |
|
| 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 |
0.464 |
|
| 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 |
0.515 |
|
| 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 |
0.6 |
|
| 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 |
0.555 |
|
| 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 |
0.423 |
|
| 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 |
0.547 |
|
| 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 |
0.547 |
|
| 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 |
0.505 |
|
| 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 |
0.479 |
|
| 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 |
0.587 |
|
| 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 |
0.645 |
|
| 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 |
0.424 |
|
| 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 |
0.555 |
|
| 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 |
0.761 |
|
| 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 |
0.519 |
|
| 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 |
0.441 |
|
| 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 |
0.364 |
|
| 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 |
0.572 |
|
| 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 |
0.53 |
|
| 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 |
0.53 |
|
| 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 |
0.537 |
|
| 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 |
0.522 |
|
| 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 |
0.559 |
|
| 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 |
0.533 |
|
| 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 |
0.354 |
|
| 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 |
0.719 |
|
| 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 |
0.576 |
|
| 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 |
0.505 |
|
| 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 |
0.56 |
|
| 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 |
0.576 |
|
| 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 |
0.547 |
|
| 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 |
0.678 |
|
| 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 |
0.62 |
|
| 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 |
0.659 |
|
| 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 |
0.584 |
|
| 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 |
0.785 |
|
| 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 |
0.508 |
|
| 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 |
0.535 |
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| 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 |
0.582 |
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| 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 |
0.545 |
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| 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 |
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| 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 |
0.441 |
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| 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 |
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| 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 |
0.58 |
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| 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 |
0.528 |
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| 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 |
0.482 |
|
| 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 |
0.5 |
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| 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 |
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| 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 |
0.592 |
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| 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 |
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| 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 |
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| 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 |
0.555 |
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| 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 |
0.472 |
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| 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 |
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| 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 |
0.446 |
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| 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 |
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| 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 |
0.443 |
|
| 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 |
0.376 |
|
| 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 |
0.359 |
|
| 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 |
0.382 |
|
| 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 |
0.481 |
|
| 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 |
0.643 |
|
| 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 |
0.454 |
|
| 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 |
0.44 |
|
| 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 |
0.595 |
|
| 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 |
0.46 |
|
| 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 |
0.608 |
|
| 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 |
0.651 |
|
| 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 |
0.648 |
|
| 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 |
0.698 |
|
| 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 |
0.66 |
|
| 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 |
0.618 |
|
| 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 |
0.702 |
|
| 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 |
0.551 |
|
| 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 |
0.411 |
|
| 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 |
0.334 |
|
| 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 |
0.715 |
|
| 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 |
0.703 |
|
| 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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