| 1 |
Quantum Dynamics of Li plus HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach
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期刊论文 |
Li, Wen-tao|Chen, Mao-du|Sun, Zhi-gang| |
| 2 |
A reactant-coordinate-based wave packet method for full-dimensional state-to-state quantum dynamics of tetra-atomic reactions: Application to both the abstraction and exchange channels in the H + H2O reaction
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期刊论文 |
Zhao, Bin|Sun, Zhigang|Guo, Hua| |
| 3 |
Full-Dimensional Quantum Dynamics of Vibrational Mediated Photodissociation of HOD in Its B Band
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期刊论文 |
Zhou, Linsen|Xie, Daiqian| |
| 4 |
A new six-dimensional potential energy surface for H-2-N2O and its adiabatic-hindered-rotor treatment
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期刊论文 |
Wang, Lecheng|Xie, Daiqian|Le Roy, Robert J.|Roy, Pierre-Nicholas| |
| 5 |
Finite temperature path integral Monte Carlo simulations of structural and dynamical properties of Ar-N-CO2 clusters
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期刊论文 |
Wang, Lecheng|Xie, Daiqian| |
| 6 |
Calculated vibrational states of ozone up to dissociation
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期刊论文 |
Wang, Xiao-Gang|Carrington, Tucker, Jr.|Sun, Zhigang|Guo, Hua| |
| 7 |
An accurate potential energy surface for the F + H-2 -> HF plus H reaction by the coupled-cluster method
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期刊论文 |
Chen, Jun|Sun, Zhigang|Zhang, Dong H.| |
| 8 |
Asymmetry of Photoelectron Angular Distributions in Molecules by Intense Attosecond Extreme Ultraviolet Laser Pulses
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期刊论文 |
Yu, Hua-ming|Yuan, Kai-jun|Sun, Zhi-gang| |
| 9 |
State-to-state reaction dynamics of O-18+O-32(2) studied by a time-dependent quantum wavepacket method
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期刊论文 |
Liu, Lan|Sun, Zhigang|Guo, Hua|Dawes, Richard| |
| 10 |
Theoretical Study of the State-to-State Photodissociation Dynamics of the Vibrationally Excited Water Molecule in the B Band
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期刊论文 |
Lin, Guang-Shuang-Mu|Zhou, Linsen|Xie, Daiqian| |
| 11 |
Photodissociation Dynamics of Diacetylene Rydberg States
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期刊论文 |
Su, Shu|Dai, Dongxu|Yuan, Kaijun|Yang, Xueming| |
| 12 |
基于量子波包方法的态-态分辨反应散射动力学计算
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期刊论文 |
孙志刚|张东辉| |
| 13 |
Mode selectivity in methane dissociative chemisorption on Ni(111)
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期刊论文 |
Li, Jun|Xie, Daiqian|Yang, Minghui|Guo, Hua| |
| 14 |
Quasi-classical trajectory study of the H+CO2 -> HO+CO reaction on a new ab initio based potential energy surface
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期刊论文 |
Xie, Changjian|Li, Jun|Xie, Daiqian|Guo, Hua| |
| 15 |
N_2H体系的势能面及振动激发态的理论研究
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期刊论文 |
杨俊英|胡茜茜|谢代前| |
| 16 |
Communication: A chemically accurate global potential energy surface for the HO+CO -> H+CO2 reaction
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期刊论文 |
Dawes, Richard|Xie, Daiqian|Bowman, Joel M.|Guo, Hua| |
| 17 |
Recent progress in theoretical studies for photodissociation dynamics of small molecules
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期刊论文 |
Bin Jiang|Daiqian Xie| |
| 18 |
Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2
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期刊论文 |
Hu, Xixi|Zhou, Linsen|Xie, Daiqian|Guo, Hua| |
| 19 |
Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H-2(+) and H-2 in cylindrical coordinates
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期刊论文 |
Lin, Xiangsong|Sun, Zhigang| |
| 20 |
Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients
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期刊论文 |
Jiang, Bin|Xie, Daiqian|Dawes, Richard|Guo, Hua| |
| 21 |
New ab initio coupled potential energy surfaces for the Br(P-2(3/2), P-2(1/2)) + H-2 reaction
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期刊论文 |
Jiang, Bin|Xie, Changjian|Xie, Daiqian| |
| 22 |
State-to-state quantum dynamics of the N(S-4) plus CH(X-2 Pi) -> CN(X-2 Sigma(+), A(2)Pi) + H(S-2) reactions
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期刊论文 |
Hu, Xixi|Xie, Changjian|Xie, Daiqian|Guo, Hua| |
| 23 |
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
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期刊论文 |
Zhao, Zhiqiang|Xie, Daiqian|Zhang, Dong H.|Guo, Hua| |
| 24 |
Photodissociation dynamics of HOD via the (B)over-tilde ((1)A(1)) electronic state
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期刊论文 |
Yu, Shengrui|Dai, Dongxu|Yuan, Kaijun|Yang, Xueming| |
| 25 |
A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Kr-H2O complex
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期刊论文 |
Lei, Jinping|Zhou, Yanzi|Xie, Daiqian|Zhu, Hua| |
| 26 |
Revealing Atom-Radical Reactivity at Low Temperature Through the N plus OH Reaction
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期刊论文 |
Xie, Daiqian|Guo, Hua|Honvault, Pascal|Hickson, Kevin M.| |
| 27 |
State to state photodissociation dynamics of D2O in the B band
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期刊论文 |
Zhou, Linsen|Lin, Guang-Shuang-Mu|Xie, Daiqian| |
| 28 |
Mapped Finite Element Discrete Variable Representation
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期刊论文 |
Yu, De-quan|Cong, Shu-lin|Zhang, Dong H.|Sun, Zhi-gang| |
| 29 |
A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions
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期刊论文 |
Zhao Bin|Sun Zhigang|Guo Hua| |
| 30 |
Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface
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期刊论文 |
Jiang, Bin|Li, Jun|Xie, Daiqian|Guo, Hua| |
| 31 |
Initial Decomposition of Methanol and Water on In2O3(110): A Periodic DFT Study
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期刊论文 |
Lin Sen|Xie Daiqian| |
| 32 |
Development of the Potential Energy Surface and Current Stage of the Quantum Dynamics Studies of the F+H-2/HD Reaction
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期刊论文 |
Sun, Zhigang|Zhang, Dong H.| |
| 33 |
CO Hydrogenation on Pd(111): Competition between Fischer-Tropsch and Oxygenate Synthesis Pathways
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期刊论文 |
Ma, Jianyi|Ye, Xinxin|Xie, Daiqian|Guo, Hua| |
| 34 |
A new four-dimensional ab initio potential energy surface for N2O-He and vibrational band origin shifts for the N2O-He-N clusters with N=1-40
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期刊论文 |
Wang, Lecheng|Xie, Daiqian|Le Roy, Robert J.|Roy, Pierre-Nicholas| |
| 35 |
State-to-State Photodissociation Dynamics of H2O in the B-band: Competition between Two Coexisting Nonadiabatic Pathways
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期刊论文 |
Zhou, Linsen|Jiang, Bin|Xie, Daiqian|Guo, Hua| |
| 36 |
Kinetic isotope effect of the O-16+O-36(2) and O-18+O-32(2) isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study
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期刊论文 |
Xie, Wenbo|Hou, Jiayi|Dawes, Richard|Guo, Hua| |
| 37 |
Rate Coefficients of the HCl plus OH -> Cl + H2O Reaction from Ring Polymer Molecular Dynamics
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期刊论文 |
Zuo, Junxiang|Li, Yongle|Guo, Hua|Xie, Daiqian| |
| 38 |
Quantum state-to-state dynamics for the quenching process of Br(P-2(1/2)) + H-2(v(i)=0, 1, j(i)=0)
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期刊论文 |
Xie, Changjian|Jiang, Bin|Xie, Daiqian|Sun, Zhigang| |
| 39 |
Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach
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期刊论文 |
Li, Wentao|Zhang, Dong H.|Sun, Zhigang| |
| 40 |
Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band
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期刊论文 |
Ma, Jianyi|Yarkony, David R.|Xie, Daiqian|Guo, Hua| |
| 41 |
An experimental and theoretical investigation of the N(S-4) + C-2((1)Sigma(+)(g)) reaction at low temperature
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期刊论文 |
Han, Shanyu|Hickson, Kevin M.|Guo, Hua|Xie, Daiqian| |
| 42 |
Competition between Direct and Indirect Dissociation Pathways in Ultraviolet Photodissociation of HNCO
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期刊论文 |
Wodtke, Alec M.|Dai, Dongxu|Yuan, Kaijun|Yang, Xueming| |
| 43 |
Product fine-structure resolved photodissociation dynamics: The A band of H2O
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期刊论文 |
Zhou, Linsen|Xie, Daiqian|Sun, Zhigang|Guo, Hua| |
| 44 |
反应N+NH—→N_2+H的态-态量子动力学研究（英文）
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期刊论文 |
胡茜茜|杨俊英|谢代前| |
| 45 |
Quasi-Classical Trajectory Study of the HO+CO -> H+CO2 Reaction on a New ab Initio Based Potential Energy Surface
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期刊论文 |
Dawes, Richard|Xie, Daiqian|Bowman, Joel M.|Guo, Hua| |
| 46 |
State-to-state quantum dynamics of the N(S-4) plus OH(X-2 Pi) -> H(S-2) plus NO(X-2 Pi) reaction
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期刊论文 |
Xie, Changjian|Li, Anyang|Xie, Daiqian|Guo, Hua| |
| 47 |
Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO2 and the implications to the early earth's atmosphere
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期刊论文 |
Hu, Xixi|Xie, Daiqian|Guo, Hua|Ono, Shuhei| |
| 48 |
State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band
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期刊论文 |
Jiang, Bin|Xie, Daiqian|Guo, Hua| |
| 49 |
State-to-state differential cross sections for D-2 + OH -> D plus DOH reaction: Influence of vibrational excitation of OH reactant
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期刊论文 |
Zhao, Bin|Sun, Zhigang|Guo, Hua| |
| 50 |
Six-dimensional quantum dynamics of dissociative chemisorption of H-2 on Co(0001) on an accurate global potential energy surface
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期刊论文 |
Hu, Xixi|Lin, Sen|Xie, Daiqian|Guo, Hua| |
| 51 |
State-to-state mode selectivity in the HD plus OH reaction: Perspectives from two product channels
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期刊论文 |
Zhao, Bin|Sun, Zhigang|Guo, Hua| |
| 52 |
A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Ne-H2S complex
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期刊论文 |
Lei, Jinping|Xiao, Mengying|Zhou, Yanzi|Xie, Daiqian| |
| 53 |
Dissociative chemisorption dynamics of small molecules on metal surfaces
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期刊论文 |
Jiang Bin|Xie DaiQian| |
| 54 |
Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity
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期刊论文 |
Jiang, Bin|Yang, Minghui|Xie, Daiqian|Guo, Hua| |
| 55 |
Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band
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期刊论文 |
Zhang, Dong Hui|Yarkony, David R.|Xie, Daiqian|Guo, Hua| |
| 56 |
Controlling the self-assembly pathways of amphiphilic block copolymers into vesicles
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期刊论文 |
Xiao, Mengying|Xia, Guangjie|Wang, Rong|Xie, Daiqian| |
| 57 |
An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method
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期刊论文 |
Yu, Dequan|Cong, Shu-Lin|Sun, Zhigang| |
| 58 |
Communication: State-to-state dynamics of the Cl + H2O -> HCl plus OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal
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期刊论文 |
Zhao, Bin|Sun, Zhigang|Guo, Hua| |
| 59 |
Nonadiabatic Tunneling in Photodissociation of Phenol
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期刊论文 |
Zhu, Xiaolei|Yarkony, David R.|Xie, Daiqian|Guo, Hua| |
| 60 |
State-to-State Reaction Dynamics for the Reactions of Atom N With Radicals
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期刊论文 |
Hu, Xixi|Xie, Changjian|Xie, Daiqian| |
| 61 |
A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Ar-H2S complex
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期刊论文 |
Lei, Jinping|Zhou, Yanzi|Xie, Daiqian| |
| 62 |
State-to-state quantum dynamics of the F+HCl (v(i)=0, j(i)=0) -> HF(v(f), j(f))+Cl reaction on the ground state potential energy surface
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期刊论文 |
Guo, Hua|Sun, Zhigang|Klos, Jacek|Alexander, Millard H.| |
| 63 |
Site-specific dissociation dynamics of H-2/D-2 on Ag(111) and Co(0001) and the validity of the site-averaging model
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期刊论文 |
Hu, Xixi|Jiang, Bin|Xie, Daiqian|Guo, Hua| |
| 64 |
Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu(111)
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期刊论文 |
Jiang, Bin|Xie, Daiqian|Guo, Hua| |
| 65 |
Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation
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期刊论文 |
Jiang, Bin|Ren, Xuefeng|Xie, Daiqian|Guo, Hua| |
| 66 |
Photodissociation dynamics of C4H2 at 164.41 nm: Competitive dissociation pathways
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期刊论文 |
Zhang, Yongwei|Dai, Dongxu|Yuan, Kaijun|Yang, Xueming| |
| 67 |
Vacuum ultraviolet photodissociation of hydrogen bromide
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期刊论文 |
Wodtke, Alec M.|Dai, Dongxu|Yuan, Kaijun|Yang, Xueming| |
| 68 |
State-to-state quantum dynamics of the N(S-4) + C-2( I-1 (+)) pound -> CN( I-2 (+)) pound + C(P-3) reaction
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期刊论文 |
Hu, Xixi|Xie, Changjian|Xie, Daiqian| |
| 69 |
State-to-state quantum dynamics of the O(P-3)+NH(X-3 Sigma(-)) reaction on the three lowest-lying electronic states of HNO/HON
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期刊论文 |
Li, Anyang|Xie, Changjian|Xie, Daiqian|Guo, Hua| |
| 70 |
Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH((X)over-tilde/(A)over-tilde) products in the B-band photodissociation of H2O
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期刊论文 |
Zhou, Linsen|Xie, Daiqian|Guo, Hua| |
| 71 |
Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method
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期刊论文 |
Zhao, Bin|Zhang, Dong-H|Lee, Soo-Y|Sun, Zhigang| |
| 72 |
Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H-2/D-2 + OH -> H/D + H2O/HOD
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期刊论文 |
Zhao, Bin|Sun, Zhigang|Guo, Hua| |
| 73 |
Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinates
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期刊论文 |
Yu, De-quan|Huang, He|Nyman, Gunnar|Sun, Zhi-gang| |
| 74 |
Theoretical Study of FH2- Electron Photodetachment Spectra on New Ab Initio Potential Energy Surfaces
|
期刊论文 |
Yu, Dequan|Chen, Jun|Cong, Shulin|Sun, Zhigang| |
| 75 |
State to State Photodissociation Dynamics of Vibrationally Excited D2O in B Band
|
期刊论文 |
Han, Shan-yu|Zhou, Lin-sen|Xie, Dai-qian| |
| 76 |
Vacuum Ultraviolet Photodissociation Dynamics of Isocyanic Acid: The Hydrogen Elimination Channel
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期刊论文 |
Su, Shu|Dai, Dongxu|Yuan, Kaijun|Yang, Xueming| |
| 77 |
Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets
|
期刊论文 |
Zhao, Bin|Sun, Zhigang|Guo, Hua| |
| 78 |
Finite temperature path integral Monte Carlo simulations of structural and dynamical properties of Ar-N-CO2 clusters
|
期刊论文 |
Wang, Lecheng|Xie, Daiqian| |
| 79 |
Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation
|
期刊论文 |
Jiang, Bin|Ren, Xuefeng|Xie, Daiqian|Guo, Hua| |
| 80 |
A new four-dimensional ab initio potential energy surface for N2O-He and vibrational band origin shifts for the N2O-He-N clusters with N=1-40
|
期刊论文 |
Wang, Lecheng|Xie, Daiqian|Le Roy, Robert J.|Roy, Pierre-Nicholas| |
| 81 |
Quantum state-to-state dynamics for the quenching process of Br(P-2(1/2)) + H-2(v(i)=0, 1, j(i)=0)
|
期刊论文 |
Xie, Changjian|Jiang, Bin|Xie, Daiqian|Sun, Zhigang| |
