| 1 |
Eight-Dimensional Quantum Dynamics Study of CH4 and CD4 Dissociation on Ni(100) Surface
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期刊论文 |
Xiangjian Shen;Zhaojun Zhang;Dong H. Zhang |
| 2 |
Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surface
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期刊论文 |
Liu Tianhui;Zhang Zhaojun;Fu Bina;Yang Xueming;Zhang Dong H. |
| 3 |
Observation of the geometric phase effect in the H+HD→H2+D reaction.
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期刊论文 |
D. Yuan;Y. Guan;W. Chen;H. Zhao;S. Yu;C. Luo;Y. Tan;T. Xie;X. Wang;Z. Sun;D. H. Zhang;X. Yang |
| 4 |
Well converged quantum rate constants for the H2 + OH→H2O + H reaction via transition state wave packet
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期刊论文 |
Peng Sun;Zhaojun Zhang;Jun Chen;Shu Liu;Dong H. Zhang |
| 5 |
Theoretical Investigations of Rate Coefficients of H+H2O2→OH+H2O on a Full-Dimensional Potential Energy Surface
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期刊论文 |
X. X. Lu;X. Wang;B. Fu;D. H. Zhang |
| 6 |
Construction of reactive potential energy surfaces with Gaussian process regression: active data selection
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期刊论文 |
Yafu Guan;Shuo Yang;Dong H. Zhang |
| 7 |
A seven-dimensional quantum dynamics study of the dissociative chemisorption of H2O on Cu(111): effects of azimuthal angles and azimuthal angle-averaging
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期刊论文 |
Liu Tianhui;Zhang Zhaojun;Fu Bina;Yang Xueming;Zhang Dong H. |
| 8 |
Six-dimensional potential energy surfaces of the dissociative chemisorption of HCl on Ag(111) with three density functionals
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期刊论文 |
Tianhui Liu;Bina Fu;Dong H. Zhang |
| 9 |
Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study
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期刊论文 |
Liu Tianhui;Zhang Zhaojun;Chen Jun;Fu Bina;Zhang Dong H. |
| 10 |
Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method
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期刊论文 |
Xiangjian Shen;Jun Chen;Zhaojun Zhang;Kejie Shao;Donghui Zhang |
| 11 |
CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion
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期刊论文 |
Xiangjian Shen; Zhaojun Zhang; Dong H. Zhang |
| 12 |
HCl dissociating on a rigid Au(111) surface: A six-dimensional quantummechanical study on a new potential energy surface based on the RPBE functional
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期刊论文 |
T. Liu;B. Fu;D. H. Zhang |
| 13 |
Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks
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期刊论文 |
Z. Yin;Y. Guan;B. Fu;D. H. Zhang |
| 14 |
Six-dimensional potential energy surfaces for the dissociative chemisorption of HCl on rigid Ag(100) and Ag(110) surfaces
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期刊论文 |
T. Liu;B. Fu;D. H. Zhang |
| 15 |
A full-dimensional time-dependent wave packet study of the H+CO2→OH+CO reaction
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期刊论文 |
Peng Sun;Jun Chen;Shu Liu;Dong H. Zhang |
| 16 |
Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2, 2 A0 states of LiFH
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期刊论文 |
Y. Guan;D. H. Zhang;H. Guo;D. R. Yarkony |
| 17 |
Theoretical and experimental investigations of rate coefficients of O(D-1) + CH4 at low temperature
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期刊论文 |
Meng Qingyong;Hickson Kevin M.;Shao Kejie;Loisonc Jean-Christophe;Zhang Dong H. |
| 18 |
Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules
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期刊论文 |
Jiayu Huang;Shu Liu;Dong H. Zhang;Roman V. Krems |
| 19 |
First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)
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期刊论文 |
Zhang Zhaojun;Liu Tianhui;Fu Bina;Yang Xueming;Zhang Dong H. |
| 20 |
Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site
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期刊论文 |
Shen Xiangjian;Zhang Zhaojun;Zhang Dong H. |
| 21 |
Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem
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期刊论文 |
Zhiqiang Zhao;Jun Chen;Zhaojun Zhang;Dong H. Zhang;Xiao-Gang Wang;Tucker Carrington Jr.;Fabien Gatti |
| 22 |
Six-dimensional quantum dynamics for the dissociative chemisorption of HCl on rigid Ag(111) on three potential energy surfaces with different density functionals.
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期刊论文 |
T. Liu;B. Fu;D. H. Zhang |
| 23 |
Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface.
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期刊论文 |
Qingyong Meng;Jun Chen;Donghui Zhang |
| 24 |
Differential Cross Sections for the H+D2O→HD+OD Reaction: a Full Dimensional State-to-State Quantum Dynamics Study
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期刊论文 |
Zhi qiang Zhao;Shu Liu;Dong H. Zhang |
| 25 |
Full dimensional quantum mechanical calculations of the reaction probability of the H+NH3 collision based on a mixed Jacobi and Radau description
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期刊论文 |
Z. Zhang;F. Gatti;D. H. Zhang |
| 26 |
Recent Advances in Quantum Dynamics of Bimolecular
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期刊论文 |
Dong H. Zhang;Hua Guo |
| 27 |
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
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期刊论文 |
Meng Qingyong;Chen Jun;Zhang Dong H. |
| 28 |
A neural network potential energy surface for the F+CH4 reaction including multiple channels based on coupled cluster theory
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期刊论文 |
J. Chen;X. Xu;S. Liu;D. H. Zhang |
| 29 |
Bayesian optimization for the inverse scattering problem in quantum reaction dynamics
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期刊论文 |
R. A. Vargas-Hernández;Y. Guan;D. H. Zhang;R. V. Krems |
| 30 |
State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions
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期刊论文 |
Z. Zhao;S. Liu;D. H. Zhang |
| 31 |
A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation
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期刊论文 |
Liu Shu;Zhang Dong H. |
| 32 |
Methane dissociation on Ni(111): A seven-dimensional to nine-dimensional quantum dynamics study
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期刊论文 |
X. Shen;Z. Zhang;D. H. Zhang |
| 33 |
An Ab Initio-Based Global Potential Energy Surface for the SH3 System and Full-Dimensional State-To-State Quantum Dynamics Study for the H2+HS→H2S+H Reaction
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期刊论文 |
X. Xu;J. Chen;S. Liu;D. H. Zhang |
| 34 |
Application of Clustering Algorithms to Partitioning Configuration Space in Fitting Reactive Potential Energy Surfaces
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期刊论文 |
Yafu Guan;Shuo Yang;Dong H. Zhang |
| 35 |
Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism
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期刊论文 |
Z. Zhao;Z Zhang;S. Liu;D. H. Zhang |
| 36 |
Construction of diabatic energy surfaces for LiFH with artificial, neural networks
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期刊论文 |
Yafu Guan;Bina Fu;Dong H. Zhang |
| 37 |
Extremely short-lived reaction resonances in Cl+HD(v=1)→DCl+H due to chemical bond softening
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期刊论文 |
T. Yang;J. Chen;L. Huang;T. Wang;C. Xiao;Z. Sun;D. Dai;X. Yang;D. H. Zhang |
| 38 |
Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane
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期刊论文 |
Zhao Zhiqiang;Chen Jun;Zhang Zhaojun;Zhang Dong H.;Lauvergnat David;Gatti Fabien |
| 39 |
基于新一代密度泛函和神经网络势能面的量子反应动力学计算
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期刊论文 |
苏乃强;陈俊;徐昕;张东辉 |
| 40 |
An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111)
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期刊论文 |
Tianhui Liu;Bina Fu;Dong H. Zhang |
| 41 |
Communication: Fitting potential energy surfaces with fundamental invariant neural network
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期刊论文 |
Shao Kejie;Chen Jun;Zhao Zhiqiang;Zhang Dong H. |
| 42 |
Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling
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期刊论文 |
Tiangang Yang;Long Huang;Chunlei Xiao;Jun Chen;Tao Wang;Dongxu Dai;Francois Lique;Millard H. Alexander;Zhigang Sun;Dong H. Zhang;Xueming Yang;Daniel M. Neumark |
| 43 |
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
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期刊论文 |
Bina Fu;Xiao Shan;Dong H. Zhang;David C. Clary |
| 44 |
Accurate integral cross sections for the H+CO2→OH+CO reaction
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期刊论文 |
P. Sun;J. Chen;S. Liu;D. H. Zhang |
| 45 |
Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions
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期刊论文 |
Bina Fu;Dong H. Zhang |
| 46 |
Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface
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期刊论文 |
Tianhui Liu;Jun Chen;Zhaojun Zhang;Xiangjian Shen;Bina Fu;Dong H. Zhang |
