| 1 |
Photodissociation of HOD via the e C1B1 State: OD/OH Branching Ratio and OD Bond Dissociation Energy
|
期刊论文 |
Lina Cheng|Yuan Cheng|Kai-jun Yuan|Qing Guo|Tao Wang|Dong-xu Dai|Xueming Yang| |
| 2 |
Communication: State-to-state quantum dynamics study of the OH+CO -〉H+CO2 reaction in full dimensions (J=0)
|
期刊论文 |
Liu, Shu|Xu, Xin|Zhang, Dong H.| |
| 3 |
Identifying Tm@C-82 isomers with density functional theory calculations
|
期刊论文 |
Zheng, Limin|He, Hongqing|Yang, Minghui|Zeng, Qun|Yang, Mingli| |
| 4 |
Ab initio potential energy surface and quantum dynamics for the H + CH4 -〉H2 + CH3 reaction
|
期刊论文 |
Zhou, Yong|Fu, Bina|Wang, Chunrui|Collins, Michael A.|Zhang, Dong H.| |
| 5 |
Imaging the O(D-1)+CD4 －〉OD+CD3 Reaction Dynamics: The Threshold of Abstraction Pathway
|
期刊论文 |
Chunrui Wang|Shu Liu|Dong H. Zhang| |
| 6 |
Shape resonance in the H+D2O -〉D+HOD reaction: a full-dimensional quantum dynamics study
|
期刊论文 |
Fu, Bina|Zhou, Yong|Zhang, Dong H.| |
| 7 |
State-to-state differential cross-sections for the reactive scattering of H*(n) with o-D2
|
期刊论文 |
Yu, Shengrui|Yuan, Kaijun|Song, Hui|Xu, Xin|Dai, Dongxu|Zhang, Dong H.|Yang, Xueming| |
| 8 |
Imaging CH3SH photodissociation at 204 nm: the SH + CH3 channel
|
期刊论文 |
Zhichao Chen|Quan Shuai|Andre T. J. B. Eppink| Bo Jiang|Dongxu Dai|Xueming Yang|David H. Parker| |
| 9 |
Rethinking Chemical Reactions at Hyperthermal Energies
|
期刊论文 |
Yang, Xueming|Minton, Timothy K.|Zhang, Dong Hui| |
| 10 |
State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions
|
期刊论文 |
Sun, Zhigang|Liu, Lan|Lin, Shi Ying|Schinke, Reinhard|Guo, Hua|Zhang, Dong H.| |
| 11 |
The dynamics of the D2 + OH -〉HOD + D reaction: A combined theoretical and experimental study
|
期刊论文 |
Liu, Shu|Xiao, Chunlei|Wang, Tao|Chen, Jun|Yang, Tiangang|Xu, Xin|Zhang, Dong H.|Yang, Xueming| |
| 12 |
Quantum state-selected photodissociation dynamics of H2O: Two-photon dissociation via the C electronic state
|
期刊论文 |
Kaijun Yuan| Yuan Cheng| Lina Cheng| Qing Guo|Dongxu Dai|Xueming Yang|Richard N. Dixon| |
| 13 |
Modified Shepard interpolation of gas-surface potential energy surfaces with strict plane group symmetry and translational periodicity
|
期刊论文 |
Frankcombe, Terry J.|Collins, Michael A.|Zhang, Dong H.| |
| 14 |
Imaging the O(D-1)+CD4 -> OD+CD3 Reaction Dynamics: The Threshold of Abstraction Pathway
|
期刊论文 |
Shuai, Quan|Pan, Huilin|Yang, Jiayue|Zhang, Dong|Jiang, Bo|Dai, Dongxu|Yang, Xueming| |
| 15 |
Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates
|
期刊论文 |
Sun, Zhigang|Guo, Hua|Zhang, Dong H.| |
| 16 |
Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D2: Checking the validity of the QCT method
|
期刊论文 |
Bonnet, L.|Espinosa-Garcia, J.|Corchado, J. C.|Liu, S.|Zhang, Dong H.| |
| 17 |
Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: Competition between abstraction and exchange channels
|
期刊论文 |
Li, Zheng|Xie, Changjian|Jiang, Bin|Xie, Daiqian|Liu, Lan|Sun, Zhigang|Zhang, Dong Hui|Guo, Hua| |
| 18 |
Mode Selectivity for a Central Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 -〉OH + CH3 Reaction on an Ab Initio Potential Energy Surface
|
期刊论文 |
Rui Liu|Minghui Yang|Gábor Czakó|Joel M. Bowman|Jun Li|Hua Guo| |
| 19 |
Accuracy of Low-level Surface in Hierarchical Construction of Potential Energy Surface
|
期刊论文 |
Wang, Chun-rui|Zhang, Dong H.| |
| 20 |
Rotational state specific dissociation dynamics of D2O via the C electronic state
|
期刊论文 |
Yuan Cheng|Lina Cheng|Qing Guo|Kaijun Yuan|Dongxu Dai|Xiuyan Wang|Richard N. Dixon|Xueming Yang| |
| 21 |
Understanding the Interaction between Valsartan and Detergents by NMR Techniques and Molecular Dynamics Simulation
|
期刊论文 |
Cao, Chenyu|Mao, Jiezhen|Li, Fang|Yang, Minghui|He, Hongqing|Jiang, Ling|Liu, Maili| |
| 22 |
D+C(CH3)4 -〉HD (v ', j ')+C(CH3)3CH2: possible concerted flow of vibration energy into translation
|
期刊论文 |
Jankunas, Justin|Bartlett, Nate C. -M.|Zare, Richard N.|Liu, Lan|Xu, Xin|Zhang, Dong H.| |
| 23 |
An ab initio quasi-diabatic potential energy matrix for OH((2)Sigma) + H2
|
期刊论文 |
Collins, Michael A.|Godsi, Oded|Liu, Shu|Zhang, Dong H.| |
| 24 |
Time-dependent wave packet theory for state-to-state differential cross sections of four-atom reactions in full dimensions: Application to the O(D-1)+CD4 －〉OD+CD3 reaction
|
期刊论文 |
Liu, Shu|Xu, Xin|Zhang, Dong H.| |
| 25 |
Reaction mechanism for CO oxidation on Cu(3 1 1): A density functional theory study
|
期刊论文 |
Liu, Shuping|Jin, Peng|Hao, Ce|Zhang, Donghui|Yang, Xueming|Chen, Shuling| |
| 26 |
Dominant Conformation of Valsartan in Sodium Dodecyl Sulfate Micelle Environment
|
期刊论文 |
Li, Fang|Wang, Lingyun|Xiao, Nan|Yang, Minghui|Jiang, Ling|Liu, Maili| |
| 27 |
Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl+CHD3 Reaction
|
期刊论文 |
Zhaojun Zhang|Yong Zhou|Dong Hui Zhang|Gabor Czako|Joel M. Bowman| |
| 28 |
化学反应共振态研究进展
|
期刊论文 |
张东辉|杨学明| |
| 29 |
Transition-State Spectroscopy of Partial Wave Resonances in the F plus HD Reaction
|
期刊论文 |
Dong, Wenrui|Xiao, Chunlei|Wang, Tao|Dai, Dongxu|Yang, Xueming|Zhang, Dong H.| |
| 30 |
Kinetics and dynamics of the NH3 + H -〉NH2 + H2 reaction using transition state methods, quasi-classical trajectories, and quantum-mechanical scattering
|
期刊论文 |
Corchado, Jose C.|Espinosa-Garcia, Joaquin|Yang, Minghui| |
| 31 |
State-to-state quantum dynamics of the O(P-3)+OH((2)Pi)-〉H(S-2)+O-2((3)Sigma(-)(g)) reaction
|
期刊论文 |
Ma, Jianyi|Lin, Shi Ying|Guo, Hua|Sun, Zhigang|Zhang, Dong H.|Xie, Daiqian| |
| 32 |
Full-dimensional quantum dynamics study of exchange processes for the D + H2O and D + HOD reactions
|
期刊论文 |
Fu, Bina|Zhang, Dong H.| |
| 33 |
QCT and QM calculations of the Cl(2P) + NH3 reaction: influence of the reactant well on the dynamics
|
期刊论文 |
Monge-Palacios, M.|Yang, M.|Espinosa-Garcia, J.| |
| 34 |
Effects of reagent vibrational excitation on the dynamics of the H+CHD3 -〉H2+CD3 reaction: A seven-dimensional time-dependent wave packet study
|
期刊论文 |
Zhou, Yong|Wang, Chunrui|Zhang, Dong H.| |
| 35 |
Observation of extremely high vibrational excitation in O2 from inelastic scattering of rydberg H atom with O2
|
期刊论文 |
Shengrui Yu|Shu Su|Kaijun Yuan|Dongxu Dai|Xueming Yang| |
| 36 |
A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2 Reaction
|
期刊论文 |
Sun, Zhigang|Lin, Xin|Lee, Soo-Y|Zhang, Dong H.| |
| 37 |
Frozen Gaussian series representation of the imaginary time propagator theory and numerical tests
|
期刊论文 |
Zhang, Dong H.|Shao, Jiushu|Pollak, Eli| |
| 38 |
Rotational State Specific Dissociation Dynamics of HOD -〉H+ OD via Two-Photon Excitation to the B Electronic State
|
期刊论文 |
Lina Cheng|Kaijun Yuan|Yuan Cheng|Qing Guo|Tao Wang|Dongxu Dai|Xueming Yang|Richard N. Dixon| |
| 39 |
NH(X-3 Sigma)+H/D(S-2) -〉H(S-2) plus NH/ND(X-3 Sigma) exchange reactions: State-to-state quantum scattering and applicability of statistical model
|
期刊论文 |
Li, Zheng|Xie, Daiqian|Sun, Zhigang|Zhang, Dong H.|Lin, Shi Ying|Guo, Hua| |
| 40 |
Theoretical investigation of the direct observation of anharmonic coupling in CDCl3 in the time domain with femtosecond stimulated Raman scattering
|
期刊论文 |
Sun, Zhigang|Fu, Bina|Zhang, Dong H.|Lee, Soo-Y.| |
| 41 |
Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations
|
期刊论文 |
Sun, Zhigang|Lee, Soo-Y.|Guo, Hua|Zhang, Dong H.| |
| 42 |
Crossed molecular beam ion-imaging study of the Cl+SiH4 -〉HCl + SiH3 reaction: product vibrational state-to-state correlation
|
期刊论文 |
Guorong Wu|Weiqing Zhang|Huilin Pan|Quan Shuai|Jiayue Yang|Bo Jiang|Dongxu Dai|Xueming Yang| |
| 43 |
Theoretical studies of the N2O van der Waals dimer: Ab initio potential energy surface, intermolecular vibrations and rotational transition frequencies
|
期刊论文 |
Zheng, Limin|Lu, Yunpeng|Lee, Soo-Ying|Fu, Hong|Yang, Minghui| |
| 44 |
An eight-dimensional quantum mechanical Hamiltonian for X + YCZ3 system and its applications to H + CH4 reaction
|
期刊论文 |
Rui Liu|Hongwei Xiong|Minghui Yang| |
| 45 |
Higher-order split operator schemes for solving the Schrodinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations
|
期刊论文 |
Sun, Zhigang|Yang, Weitao|Zhang, Dong H.| |
| 46 |
Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D
|
期刊论文 |
Xiao, Chunlei|Zhang, Dong H.|Yang, Xueming|Xu, Xin|Liu, Shu|Wang, Tao|Dong, Wenrui|Yang, Tiangang|Sun, Zhigang|Dai, Dongxu|Xu, Xin| |
| 47 |
Predissociation dynamics of N2O+ at the A( (2)Sigma +)state: Three pathways to form NO+ (((1)Sigma+)) revealed from ion velocity imaging
|
期刊论文 |
Hua Wang|Xiaoguo Zhou|Shilin Liu|Bo Jiang|Dongxu Dai|Xueming Yang| |
| 48 |
Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction
|
期刊论文 |
Zhang, Weiqing|Zhang, Liling|Jiang, Bo|Dai, Dongxu|Lee, Soo-Ying|Xie, Zeng|Braams, Bastiaan J.|Bowman, Joel M.|Collins, Michael A.|Zhang, Dong H.|Yang, Xueming|Zhou, Yong|Wu, Guorong|Lu, Yunpeng|Pan, Huilin|Fu, Bina|Shuai, Quan|Liu, Lan|Liu, Shu| |
| 49 |
Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O(3P) + CH4 -〉 OH + CH3 Reaction: Contributions of Quantum Effects
|
期刊论文 |
Yongle Li|Yury V. Suleimanov|Minghui Yang|William H. Green|Hua Guo| |
| 50 |
Full-Dimensional Quantum Dynamics Study of the H+H2O and H+HOD Exchange Reactions
|
期刊论文 |
Fu, Bina|Zhang, Dong H.| |
| 51 |
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
|
期刊论文 |
Sun, Zhigang|Zhang, Dong H.|Alexander, Millard H.| |
| 52 |
A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide
|
期刊论文 |
Wang, Chunrui|Zhang, Dong H.|Skodje, Rex T.| |
| 53 |
A full-dimensional time-dependent wave packet study of the OH+CO -〉H+CO2 reaction
|
期刊论文 |
Liu, Shu|Xu, Xin|Zhang, Dong H.| |
| 54 |
Effect of defects on photocatalytic dissociation of methanol on TiO2(110)
|
期刊论文 |
Chuanyao Zhou|Zhibo Ma|Zefeng Ren|Xinchun Mao|Dongxu Dai|Xueming Yang| |
