Dai-Qian Xie (Daiqian Xie)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 77

Top Topics

Helicobacter Pylori

Molecular Dynamics

Energy Transfer

Top Venues

The journal of physical chemistry. A

The journal of physical chemistry letters

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Shuwen Zhang, Qixin Chen, Li-Dong Zhang, Jun Li, Xixi Hu, Dai-Qian Xie
Dynamics studies for the multi-well and multi-channel reaction of OH with C 2 H 2 on a full-dimensional global potential energy surface. Physical chemistry chemical physics : PCCP (2024)
Junjie Chen, Qian Gao, Linsen Zhou, Xixi Hu, Dai-Qian Xie
Isotope Effects on State-to-State Photodissociation Dynamics of D 2 S in Its First Absorption Band. The journal of physical chemistry. A 128 (10) (2024)
Shuwen Zhang, Xixi Hu, Dai-Qian Xie
Mode-Specific Dynamics Studies for the Multichannel C 2 H 2 + OH Reaction. The journal of physical chemistry. A 128 (32) (2024)
Shuwen Zhang, Qixin Chen, Li-Dong Zhang, Jun Li, Xixi Hu, Dai-Qian Xie
Dynamics studies for the multi-well and multi-channel reaction of OH with C 2 H 2 on a full-dimensional global potential energy surface. Physical chemistry chemical physics : PCCP 26 (9) (2024)
Shuwen Zhang, Xixi Hu, Dai-Qian Xie
Mode-Specific Dynamics Studies for the Multichannel C 2 H 2 + OH Reaction. The journal of physical chemistry. A (2024)
Junyan Wang, Changjian Xie, Xixi Hu, Hua Guo, Dai-Qian Xie
Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O 2 → OH + O. The journal of physical chemistry letters 15 (16) (2024)
Junjie Chen, Qian Gao, Linsen Zhou, Xixi Hu, Dai-Qian Xie
Isotope Effects on State-to-State Photodissociation Dynamics of D 2 S in Its First Absorption Band. The journal of physical chemistry. A (2024)
Junyan Wang, Changjian Xie, Xixi Hu, Hua Guo, Dai-Qian Xie
Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O 2 → OH + O. The journal of physical chemistry letters (2024)
Chong Xu, Shuwen Zhang, Xiaolei Zan, Huayu Hu, Dai-Qian Xie, Xixi Hu
Formation Mechanisms of Electronically Excited Nitrogen Molecules from N + N 2 and N + N + N Collisions Revealed by Full-Dimensional Potential Energy Surfaces. The journal of physical chemistry. A 128 (1) (2023)
Dongzheng Yang, Hua Guo, Dai-Qian Xie
Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Shanyu Han, Changjian Xie, Xixi Hu, David R Yarkony, Hua Guo, Dai-Qian Xie
Quantum Dynamics of Photodissociation: Recent Advances and Challenges. The journal of physical chemistry letters (2023)
Dongzheng Yang, Hua Guo, Dai-Qian Xie
Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical chemistry chemical physics : PCCP (2023)
Junyan Wang, Feng An, Junjie Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O 2 ↔ HO + O Reaction. Journal of chemical theory and computation (2023)
Dongzheng Yang, Hua Guo, Dai-Qian Xie
Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Yarui Zhao, Junjie Chen, Zijie Luo, Yao Chang, Jiayue Yang, Weiqing Zhang, Guorong Wu, Stuart W Crane, Christopher S Hansen, Hongbin Ding, Feng An, Xixi Hu, Dai-Qian Xie, Michael N R Ashfold, Kaijun Yuan, Xueming Yang
The vibronic state dependent predissociation of H 2 S: determination of all fragmentation processes. Chemical science 14 (10) (2023)
Yarui Zhao, Junjie Chen, Zijie Luo, Yao Chang, Jiayue Yang, Weiqing Zhang, Guorong Wu, Stuart W Crane, Christopher S Hansen, Hongbin Ding, Feng An, Xixi Hu, Dai-Qian Xie, Michael N R Ashfold, Kaijun Yuan, Xueming Yang
The vibronic state dependent predissociation of H 2 S: determination of all fragmentation processes. Chemical science 14 (10) (2023)
Boyi Zhou, Yanzi Zhou, Dai-Qian Xie
Accelerated Quantum Mechanics/Molecular Mechanics Simulations via Neural Networks Incorporated with Mechanical Embedding Scheme. Journal of chemical theory and computation 19 (4) (2023)
Boyi Zhou, Yanzi Zhou, Dai-Qian Xie
Accelerated Quantum Mechanics/Molecular Mechanics Simulations via Neural Networks Incorporated with Mechanical Embedding Scheme. Journal of chemical theory and computation (2023)
Yipeng Yu, Dongzheng Yang, Yanzi Zhou, Dai-Qian Xie
A New Full-Dimensional Ab Initio Intermolecular Potential Energy Surface and Rovibrational Energies of the H 2 O-H 2 Complex. The journal of physical chemistry. A 128 (1) (2023)
Junjie Chen, Hanzi Zhang, Linsen Zhou, Xixi Hu, Dai-Qian Xie
New accurate diabatic potential energy surfaces for the two lowest 1 A'' states of H 2 S and photodissociation dynamics in its first absorption band. Physical chemistry chemical physics : PCCP (2023)
Chong Xu, Shuwen Zhang, Xiaolei Zan, Huayu Hu, Dai-Qian Xie, Xixi Hu
Formation Mechanisms of Electronically Excited Nitrogen Molecules from N + N 2 and N + N + N Collisions Revealed by Full-Dimensional Potential Energy Surfaces. The journal of physical chemistry. A (2023)
Yipeng Yu, Dongzheng Yang, Yanzi Zhou, Dai-Qian Xie
A New Full-Dimensional Ab Initio Intermolecular Potential Energy Surface and Rovibrational Energies of the H 2 O-H 2 Complex. The journal of physical chemistry. A (2023)
Dongzheng Yang, Shijie Chai, Dai-Qian Xie, Hua Guo
ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality. The Journal of chemical physics 158 (5) (2023)
Junyan Wang, Feng An, Junjie Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O 2 ↔ HO + O Reaction. Journal of chemical theory and computation 19 (10) (2023)
Lu Liu, Dongzheng Yang, Hua Guo, Dai-Qian Xie
Full-Dimensional Quantum Dynamics Studies of Ro-vibrationally Inelastic Scattering of H 2 O with Ar: A Benchmark Test of the Rigid-Rotor Approximation. The journal of physical chemistry. A 127 (1) (2022)
Yilang Liu, Jing Huang, Dongzheng Yang, Dai-Qian Xie, Hua Guo
Global Full-Dimensional Potential Energy Surface for the Reaction 23 Na 87 Rb + 23 Na 87 Rb → 23 Na 2 + 87 Rb 2 and the Formation Rate and Lifetime of the 23 Na 2 87 Rb 2 Collision Complex. The journal of physical chemistry. A 126 (48) (2022)
Ge Sun, Shanyu Han, Xianfeng Zheng, Yu Song, Yuan Qin, Richard Dawes, Dai-Qian Xie, Jingsong Zhang, Hua Guo
Unimolecular dissociation dynamics of electronically excited HCO(Ã 2 A''): rotational control of nonadiabatic decay. Faraday discussions 238 (0) (2022)
Qixin Chen, Shuwen Zhang, Xixi Hu, Dai-Qian Xie, Hua Guo
Reaction Pathway Control via Reactant Vibrational Excitation and Impact on Product Vibrational Distributions: The O + HO 2 → OH + O 2 Atmospheric Reaction. The journal of physical chemistry letters 13 (7) (2022)
Dongzheng Yang, Lu Liu, Dai-Qian Xie, Hua Guo
Full-dimensional quantum studies of vibrational energy transfer dynamics between H 2 O and Ar: theory assessing experiment. Physical chemistry chemical physics : PCCP 24 (22) (2022)
Junwei Zhou, Hongrui Chen, Jianfa Chen, Daihong Wan, Huikun Zhang, Rong Wang, Dai-Qian Xie, Chengli Mao
Mechanisms and Kinetics Studies of Butylated Hydroxytoluene Degradation to Isobutene. The journal of physical chemistry. A 126 (20) (2022)
Shijie Chai, Qixin Chen, Dongzheng Yang, Yanzi Zhou, Dai-Qian Xie
Fully quantum calculations of the line shape parameters for 1-0 P(22) and P(31) lines of CO perturbed by He or Ar. The Journal of chemical physics 157 (22) (2022)
Dongzheng Yang, Dai-Qian Xie, Hua Guo
Stereodynamical Control of Cold Collisions of Polyatomic Molecules with Atoms. The journal of physical chemistry letters 13 (7) (2022)
Lu Liu, Dongzheng Yang, Hua Guo, Dai-Qian Xie
Full-Dimensional Quantum Dynamics Studies of Ro-vibrationally Inelastic Scattering of H 2 O with Ar: A Benchmark Test of the Rigid-Rotor Approximation. The journal of physical chemistry. A (2022)
Yarui Zhao, Junjie Chen, Zijie Luo, Zhenxing Li, Shuaikang Yang, Yao Chang, Feng An, Zhichao Chen, Jiayue Yang, Guorong Wu, Weiqing Zhang, Xixi Hu, Dai-Qian Xie, Hongbin Ding, Kaijun Yuan, Xueming Yang
Photodissociation of H 2 S: A New Pathway for the Production of Vibrationally Excited Molecular Hydrogen in the Interstellar Medium. The journal of physical chemistry letters 13 (42) (2022)
Qixin Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Insights into the Formation of Hydroxyl Radicals with Nonthermal Vibrational Excitation in the Meinel Airglow. The journal of physical chemistry letters 12 (7) (2021)
Yao Chang, Feng An, Zhichao Chen, Zijie Luo, Yarui Zhao, Xixi Hu, Jiayue Yang, Weiqing Zhang, Guorong Wu, Dai-Qian Xie, Kaijun Yuan, Xueming Yang
Vibrationally excited molecular hydrogen production from the water photochemistry. Nature communications 12 (1) (2021)
Jing Huang, Dongzheng Yang, Junxiang Zuo, Xixi Hu, Dai-Qian Xie, Hua Guo
Full-Dimensional Global Potential Energy Surface for the KRb + KRb → K2Rb2* → K2 + Rb2 Reaction with Accurate Long-Range Interactions and Quantum Statistical Calculation of the Product State Distribution under Ultracold Conditions. The journal of physical chemistry. A 125 (28) (2021)
Zijie Luo, Yarui Zhao, Zhichao Chen, Yao Chang, Su-E Zhang, Yucheng Wu, Jiayue Yang, Yi Cheng, Li Che, Guorong Wu, Dai-Qian Xie, Xueming Yang, Kaijun Yuan
Strong isotope effect in the VUV photodissociation of HOD: A possible origin of D/H isotope heterogeneity in the solar nebula. Science advances 7 (30) (2021)
Hailin Zhao, Dai-Qian Xie, Zhigang Sun
Interaction-Asymptotic Region Decomposition Method for a Triatomic Reactive Scattering with Symmetry Adoption. The journal of physical chemistry. A 125 (12) (2021)
Hailin Zhao, Dai-Qian Xie, Zhigang Sun
Interaction-Asymptotic Region Decomposition Method for an Insertion Reaction: Application to the S(1D) + H2 Reaction. The journal of physical chemistry. A 125 (9) (2021)
Yao Chang, Yong Yu, Feng An, Zijie Luo, Donghui Quan, Xia Zhang, Xixi Hu, Qinming Li, Jiayue Yang, Zhichao Chen, Li Che, Weiqing Zhang, Guorong Wu, Dai-Qian Xie, Michael N R Ashfold, Kaijun Yuan, Xueming Yang
Three body photodissociation of the water molecule and its implications for prebiotic oxygen production. Nature communications 12 (1) (2021)
Hua Li, Honglei Li, Xingzhi Wang, Yufeng Nie, Cheng Liu, Yu Dai, Jinyang Ling, Mengning Ding, Xi Ling, Dai-Qian Xie, Ning Lu, Changjin Wan, Qihua Xiong, Weigao Xu
Spontaneous Polarity Flipping in a 2D Heterobilayer Induced by Fluctuating Interfacial Carrier Flows. Nano letters 21 (16) (2021)
Dongzheng Yang, Dai-Qian Xie, Hua Guo
A Time-Independent Quantum Approach to Ro-vibrationally Inelastic Scattering between Atoms and Triatomic Molecules. The journal of physical chemistry. A 125 (31) (2021)
Shanyu Han, Ge Sun, Xianfeng Zheng, Yu Song, Richard Dawes, Dai-Qian Xie, Jingsong Zhang, Hua Guo
Rotational Modulation of Ã2A″-State Photodissociation of HCO via Renner-Teller Nonadiabatic Transitions. The journal of physical chemistry letters 12 (28) (2021)
Shanyu Han, Carolyn E Gunthardt, Richard Dawes, Dai-Qian Xie, Simon W North, Hua Guo
Origin of the "odd" behavior in the ultraviolet photochemistry of ozone. Proceedings of the National Academy of Sciences of the United States of America 117 (35) (2020)
Jun Li, Bin Zhao, Dai-Qian Xie, Hua Guo
Advances and New Challenges to Bimolecular Reaction Dynamics Theory. The journal of physical chemistry letters 11 (20) (2020)
Junxiang Zuo, Qixin Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Theoretical Investigations of Rate Coefficients for H + O3 and HO2 + O Reactions on a Full-Dimensional Potential Energy Surface. The journal of physical chemistry. A 124 (32) (2020)
Yang Liu, Hongwei Song, Dai-Qian Xie, Jun Li, Hua Guo
Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode. Journal of the American Chemical Society 142 (7) (2020)
Yao Chang, Feng An, Qinming Li, Zijie Luo, Li Che, Jiayue Yang, Zhichao Chen, Weiqing Zhang, Guorong Wu, Xixi Hu, Dai-Qian Xie, Kaijun Yuan, Xueming Yang
Electronically Excited OH Super-rotors from Water Photodissociation by Using Vacuum Ultraviolet Free-Electron Laser Pulses. The journal of physical chemistry letters 11 (18) (2020)
Feng An, Junjie Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Nonadiabatic Electronic Energy Transfer in the Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling or Spin-Orbit Coupling? The journal of physical chemistry letters 11 (12) (2020)
Dongzheng Yang, Junxiang Zuo, Jing Huang, Xixi Hu, Richard Dawes, Dai-Qian Xie, Hua Guo
A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime. The journal of physical chemistry letters 11 (7) (2020)
Qiong Liu, Dongzheng Yang, Dai-Qian Xie
Quantum Dynamics of Rotational Energy Transfer Processes for N2-HF and N2-DF Systems. The journal of physical chemistry. A 125 (1) (2020)
Yao Chang, Qinming Li, Feng An, Zijie Luo, Yarui Zhao, Yong Yu, Zhigang He, Zhichao Chen, Li Che, Hongbin Ding, Weiqing Zhang, Guorong Wu, Xixi Hu, Dai-Qian Xie, John M C Plane, Wuhu Feng, Colin M Western, Michael N R Ashfold, Kaijun Yuan, Xueming Yang
Water Photolysis and Its Contributions to the Hydroxyl Dayglow Emissions in the Atmospheres of Earth and Mars. The journal of physical chemistry letters 11 (21) (2020)
Xiao-Fei Gao, Feng An, Hao Li, Jing-Chen Xie, Xu-Dong Wang, Xin Meng, Bin Wu, Dai-Qian Xie, Shan Xi Tian
Probing the Potential Energy Surfaces of BrCN- by Dissociative Electron Attachment. The journal of physical chemistry letters 11 (21) (2020)
Changjian Xie, Bin Zhao, Christopher L Malbon, David R Yarkony, Dai-Qian Xie, Hua Guo
Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol. The journal of physical chemistry letters 11 (1) (2019)
Xixi Hu, Junxiang Zuo, Changjian Xie, Richard Dawes, Hua Guo, Dai-Qian Xie
An ab initio based full-dimensional potential energy surface for OH + O2⇄ HO3 and low-lying vibrational levels of HO3. Physical chemistry chemical physics : PCCP 21 (25) (2019)
Dongzheng Yang, Jing Huang, Xixi Hu, Hua Guo, Dai-Qian Xie
Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules. Nature communications 10 (1) (2019)
Wanqing Wei, Jing Ma, Dai-Qian Xie, Yanzi Zhou
Linking inhibitor motions to proteolytic stability of sunflower trypsin inhibitor-1. RSC advances 9 (24) (2019)
Yang Liu, Mengna Bai, Hongwei Song, Dai-Qian Xie, Jun Li
Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface. Physical chemistry chemical physics : PCCP 21 (23) (2019)
Yao Chang, Yong Yu, Heilong Wang, Xixi Hu, Qinming Li, Jiayue Yang, Shu Su, Zhigang He, Zhichao Chen, Li Che, Xingan Wang, Weiqing Zhang, Guorong Wu, Dai-Qian Xie, Michael N R Ashfold, Kaijun Yuan, Xueming Yang
Hydroxyl super rotors from vacuum ultraviolet photodissociation of water. Nature communications 10 (1) (2019)
Hailin Zhao, Umair Umer, Xixi Hu, Dai-Qian Xie, Zhigang Sun
An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings. The Journal of chemical physics 150 (13) (2019)
Changjian Xie, Christopher L Malbon, Dai-Qian Xie, David R Yarkony, Hua Guo
Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 32A(3p x) Rydberg State: A Nine-Dimensional Quantum Study. The journal of physical chemistry. A 123 (10) (2019)
Yan Hua, Yipeng Zhou, Daocheng Hong, Sushu Wan, Xixi Hu, Dai-Qian Xie, Yuxi Tian
Identification of the Band Gap Energy of Two-dimensional (OA)2(MA)n-1PbnI3n+1 Perovskite with up to 10 Layers. The journal of physical chemistry letters 10 (22) (2019)
Dongzheng Yang, Xixi Hu, Dai-Qian Xie
Quantum dynamics of vibration-vibration energy transfer for vibrationally excited HF colliding with H2. Journal of computational chemistry 40 (10) (2018)
Hailin Zhao, Xixi Hu, Dai-Qian Xie, Zhigang Sun
Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates. The Journal of chemical physics 149 (17) (2018)
Xixi Hu, Minghui Yang, Dai-Qian Xie, Hua Guo
Vibrational enhancement in the dynamics of ammonia dissociative chemisorption on Ru(0001). The Journal of chemical physics 149 (4) (2018)
Dongzheng Yang, Jing Huang, Junxiang Zuo, Xixi Hu, Dai-Qian Xie
A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2-HF. The Journal of chemical physics 148 (18) (2018)
Jing Huang, Yanzi Zhou, Dai-Qian Xie
Predicted infrared spectra in the HF stretching band of the H2-HF complex. The Journal of chemical physics 149 (9) (2018)
Guang-Shuang-Mu Lin, Changjian Xie, Dai-Qian Xie
Nonadiabatic Effect in Photodissociation Dynamics of Thiophenol via the 1ππ* State. The journal of physical chemistry. A 122 (24) (2018)
Hailin Zhao, Dai-Qian Xie, Hua Guo
Quantum dynamics of ClH2O- photodetachment: Isotope effect and impact of anion vibrational excitation. The Journal of chemical physics 148 (6) (2018)
Shanyu Han, Dai-Qian Xie, Hua Guo
Modified Gaussian Wave Packet Method for Calculating Initial State Wave Functions in Photodissociation. Journal of chemical theory and computation 14 (11) (2018)
Dongzheng Yang, Xixi Hu, Dong H Zhang, Dai-Qian Xie
An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision. The Journal of chemical physics 148 (8) (2018)
Manyi Yang, Lijiang Yang, Guoqiang Wang, Yanzi Zhou, Dai-Qian Xie, Shu-Hua Li
Combined Molecular Dynamics and Coordinate Driving Method for Automatic Reaction Pathway Search of Reactions in Solution. Journal of chemical theory and computation 14 (11) (2018)
Changjian Xie, Christopher L Malbon, David R Yarkony, Dai-Qian Xie, Hua Guo
Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State. Journal of the American Chemical Society 140 (6) (2018)
Guang-Shuang-Mu Lin, Changjian Xie, Dai-Qian Xie
Three-Dimensional Diabatic Potential Energy Surfaces for the Photodissociation of Thiophenol. The journal of physical chemistry. A 121 (44) (2017)
Junxiang Zuo, Changjian Xie, Hua Guo, Dai-Qian Xie
Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment. The journal of physical chemistry letters 8 (14) (2017)
Junxiang Zuo, Yongle Li, Hua Guo, Dai-Qian Xie
Correction to "Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics". The journal of physical chemistry. A 121 (26) (2017)