Molecular Reaction Dynamics, Potential Energy Surface, Density Functional Theory

2010-09--2016-07   Dalian Institute of Chemical Physics, Chinese Academy of Sciences (Ph.D.)

2006-09--2010-06   School of Chemistry and Chemical Engineering, Nanjing University (B.S.)

2020-11--present   Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences

2019-10--2020-07   Department of Chemistry and Chemical Biology, University of New Mexico

2016-07--2019-07   College of Chemistry and Chemical Engineering, Xiamen University

86 Kaiyi Zhao and Jun Chen*

From Kinetic Gateways to Thermodynamic Locking: Unveiling the Dynamic Adsorption Landscape of CO on Pt(111) 

J. Comput. Chem., 2026, 47(11): e70375.

85 Chengxiang Jiao*, Xiaojian Li, Qiaolin Wang, Zhengbo Qin*, Junyao Zhang, and Jun Chen*

An investigation into low-lying electronic states of CH₃S₂ via threshold photoelectron imaging 

J. Chem. Phys., 2026, 164(12): 124304.

84 Sutao Lin, Dongdong Qiao, Tengyu Gao, Rui Xiong, Lulu Chen, Jun Chen* and Sen Lin*

Unraveling Subsurface Hydrogen Spillover Dynamics in Pt₁/Ag(111) Single-Atom Near‑Surface Alloys 

ACS Catalysis, 2026, 16(3): 2910-2917.

83 Xiaojian Li, Qiaolin Wang, Zhengbo Qin*, Chengxiang Jiao*, Zhongfa Sun, Xianfeng Zheng, Junyao Zhang, Jun Chen*

Probing the Gold-hydrogen analogy in [L-Au-Sr]^- complexes (L = H and Au; R = H and CH₃) 

J. Chem. Phys., 2026, 164(5): 054308.

82 Zhiyuan Wei, Jin-En He, Siwu Li, Zhe-Ning Chen*, Lu Zhang*, Jun Chen*

Resolving the "CO puzzle": Disentangling electronic structure and dynamic effects via an operando dynamics framework 

J. Chem. Phys., 2025, 163(23): 234705. (Editor's Picks)

81 Xiaoxiao Lu, Yuyao Bai, Hao Wu, Jun Chen, Yongchang Han*, Dong H. Zhang, Bina Fu*

State-Resolved Dynamics and Rate Coefficients of the F + C2H6 Reaction with a Submerged Barrier: Ring Polymer Molecular Dynamics and Quasiclassical Trajectory Insights 

J. Phys. Chem. Lett., 2025, 16(34): 8771-8777.

80 Yuquan Feng, Kaiyi Zhao, Jun Chen*

Benchmarking Density Functional Theory for Noble Metal Hydrides: A High-Fidelity PES and Vibrational Analysis of the AgAuH^- Anion 

Communications in Computational Chemistry, 2025, 7(4): 274-280.

79 Xian Chen, Zhe-Ning Chen, Tianmin Wu*, Jun Chen*

Revealing the Role of Local Octahedral Distortions in Hybrid Halide Perovskites Through Physical-Informed Data-driven Machine Learning 

J. Chem. Phys., 2025, 162(19): 194703.

78 Xin Xu, Jun Chen, Shu Liu, Dong H. Zhang*

State-to-state Quantum Dynamics Study of a Complex Four-Atom System: Differential Cross Section of the Cl + HOD → HCl + OD Reaction (in Chinese)

Chinese Science Bulletin | 科学通报, 2025, 70(34): 5853-5861.

77 Sutao Lin, Rui Xiong, Jun Chen*, Sen Lin*

Spillover Dynamics in Heterogeneous Catalysis on Single-Atom Alloys: A Theoretical Perspective

WIREs Computational Molecular Science, 2025, 15(2): e70011. https://doi.org/10.1002/wcms.70011

76 Xin Xu, Jun Chen, Shu Liu*, Dong H. Zhang*

Differential Cross Sections for the Vibrationally Excited H + HOD(ν_OH=1–4) → H₂ + OD Reactions

J. Phys. Chem. A, 2024, 128(48): 10395–10403. https://doi.org/10.1021/acs.jpca.4c06429

75 Yuquan Feng, Yihuang Jiang, Zhengyan Jiang, Jun Chen*

A theoretical study of energy transfer between CO and CO₂ based on a full-dimensional potential energy surface

Chin. J. Chem. Phys., 2024. https://doi.org/10.1063/1674-0068/cjcp2409121

74 Quan Zhou, Xiao-Min Chen, Xujie Qin, Zhe-Ning Chen*, Jun Chen*, Wei Zhuang*

The counterintuitive aromaticity of bent metallabenzenes: a theoretical exploration

Chin. Chem. Lett., 2025, 36(4): 109770. https://doi.org/10.1016/j.cclet.2024.109770

73 Xin Xu, Jun Chen, Shu Liu*, Dong H. Zhang*

Effects of Reagent Rotational Excitation on OH + HCl → Cl + H₂O Reaction

Chin. J. Chem. Phys., 2024, 37(2): 211–220. https://doi.org/10.1063/1674-0068/cjcp2401003

72 Chenchen Li, Xian Chen, Tan Jin, Tianmin Wu*, Jun Chen*, Wei Zhuang*

Impact of Functional Groups within the Spacer Cation on the Properties of Two-Dimensional Monolayer Perovskites 

Nano Mater. Sci., 2024. https://doi.org/10.1016/j.nanoms.2024.02.005

71 Shu Liu*, Zhaojun Zhang, Jun Chen, Dong H. Zhang*

Isotope effects and heavy–light–heavy reactivity oscillation in the Cl + CHD₃ reaction 

J. Phys. Chem. A, 2024, 128(6): 1032–1040. https://doi.org/10.1021/acs.jpca.3c07348

70 Zhenghui Tan, Jun Chen*, Sen Lin*

Theoretical Insights into H₂ Activation and Hydrogen Spillover on Near-Surface Alloys with Embedded Single Pt Atoms  

ACS Catal., 2024, 14(4): 2194–2201. https://doi.org/10.1021/acscatal.3c05660

69 Jun Chen*, Tan Jin, Zhe-Ning Chen, Chong Liu, Wei Zhuang*

Adsorption kinetics of H₂O on graphene surface based on a new potential energy surface 

Artif. Intell. Chem., 2024, 2: 100046. https://doi.org/10.1016/j.aichem.2024.100046

68 Xin Xu, Shu Liu*, Jun Chen, Dong H. Zhang*

Highly vibrational excitation of reagent transforms the late-barrier H+HOD reaction into an early-barrier reaction 

J. Chem. Phys., 2024, 160(4): 041101. https://doi.org/10.1063/5.0187094

67 Jun Chen*, Fengyan Wang*, Xin Xu*

A global ²A^" state potential energy surface for the Al (²P) + O₂ (³Σ_g^-) → AlO (²Σ⁺) + O (³P) reaction based on the doubly hybrid functional XYG3 

J. Chem. Phys., 2023, 159(22): 224303. https://doi.org/10.1063/5.0176798

66 Xingqiang Zhan, Xian Chen, Chenchen Li, Tan Jin, Yuanxin Wang, Zhe-Ning Chen, Tianmin Wu*, Jun Chen*, Wei Zhuang*

Can Lead-free Double Halide Perovskites Serve as Proper Photovoltaic Absorber?  

J. Phys. Chem. Lett., 2023, 14(48): 10784−10793. https://doi.org/10.1021/acs.jpclett.3c02663

65 Xin Xu, Jun Chen, Shu Liu* and Dong H. Zhang

Differential Cross Sections for the H + H₂S → H₂ + SH Reaction: A Full-Dimensional State-to-State Quantum Dynamics Study 

J. Phys. Chem. A, 2023, 127(45): 9513–9519. https://doi.org/10.1021/acs.jpca.3c05844

64 Shu Liu*, Jun Chen, Xiaoren Zhang and Dong H. Zhang*

Feshbach resonances in the F + CHD₃ → HF + CD₃ reaction 

Chem. Sci., 2023, 14: 7973-7979. https://doi.org/10.1039/D3SC02629A

63 Yihuang Jiang, Zaifa Shi*, Jingxiong Yu, Di Wu, Jun Chen*, Zichao Tang*, and Lansun Zheng

Low-Temperature Oxidation Reaction Processes of Cyclopentanone Unraveled by In Situ Mass Spectrometry and Theoretical Study 

ACS Omega, 2023, 8(24): 22077-22087. https://doi.org/10.1021/acsomega.3c02162

62 Qingyong Meng*, Junbo Chen, Jianxing Ma, Xingyu Zhang, Jun Chen

Adiabatic Models for the Quantum Dynamics of Surface Scattering with Lattice Effects 

Phys. Chem. Chem. Phys., 2022, 24: 16415-16436. https://doi.org/10.1039/D2CP01560A

61 Xin Xu†, Jun Chen†, Xiaoxiao Lu, Wei Fang, Shu Liu, Dong H. Zhang*

Strong Non-Arrhenius behavior at low temperatures in the OH + HCl → H₂O + Cl reaction due to resonance induced quantum tunneling  

Chem. Sci., 2022, 13: 7955-7961. https://doi.org/10.1039/d2sc01958b

60 Jun Chen*, Wei Zhuang*

Theoretical Description of Water from Single-Molecule to Condensed Phase: Recent Progress on Potential Energy Surfaces and Molecular Dynamics 

Chin. J. Chem. Phys., 2022, 35(2): 227-241. https://doi.org/10.1063/1674-0068/cjcp2201005

59 Jun Chen†, Tan Jin†, Yihuang Jiang, Tonghao Shen*, Mingjun Yang*, Zhe-Ning Chen*

Toward Accurate and Efficient Dynamic Computational Strategy for Heterogeneous Catalysis: Temperature-Dependent Thermodynamics and Kinetics for the Chemisorbed on-surface CO  

Chin. Chem. Lett., 2022, 33(11): 4936-4942. https://doi.org/10.1016/j.cclet.2022.03.080

58 Zaifa Shi, Yihuang Jiang, Jingxiong Yu, Shanjun Chen*, Jun Chen*, Zichao Tang*, Lansun Zheng

Develop the low-temperature oxidation mechanism of cyclopentane: an experimental and theoretical study 

Chem. Eur. J., 2022, 28(8): e202103546. https://doi.org/10.1002/chem.202103546

57 Chenyao Shang, Jun Chen, Xin Xu*, Shu Liu*, Dong H. Zhang

State-to-State Quantum Dynamical Study of H + Br₂ → HBr + Br Reaction 

Chin. J. Chem. Phys., 2021, 34(6): 949-956.

56 Danan Lu, Jun Chen, Hua Guo, Jun Li*

Vibrational energy pooling via collisions between asymmetric stretching excited CO₂: a quasi-classical trajectory study on an accurate full-dimensional potential energy surface 

Phys. Chem. Chem. Phys., 2021, 23(42): 24165-24174.

55 Chenyao Shang†, Jun Chen†, Xin Xu*, Shu Liu*, Liucheng Li, Liping Duo, Dong H. Zhang

A quantum wave packet study of the H + Br₂ → HBr + Br reaction on a new ab initio potential energy surface 

J. Phys. Chem. A, 2021, 125(33): 7289-7296.

54 Yishan Yang, Jing Lyu, Jun Chen, Jianhe Liao*, Xuetong Zhang*

Flame-Retardant Host-Guest Films for Efficient Thermal Management of Cryogenic Devices 

Adv. Funct. Mater., 2021, 31(41): 2102232.

53 Shu Liu*, Xiaoren Zhang, Jun Chen, Dong H. Zhang*

Feshbach Resonances in the Vibrationally Excited F + HOD(v_OH/v_OD = 1) Reaction Due to Chemical Bond Softening 

J. Phys. Chem. Lett., 2021, 12(26): 6090-6094

52 Yizhen Wang†, Yajing Li†, Jun Chen, Igor Ying Zhang*, Xin Xu*

Doubly Hybrid Functionals Close to Chemical Accuracy for Both Finite and Extended Systems: Implementation and Test of XYG3 and XYGJ-OS

JACS Au, 2021, 1(5): 543-549.

51 Xiaoren Zhang†, Jun Chen†, Xin Xu, Shu Liu*, Dong H. Zhang*

A neural network potential energy surface for the F + H₂O ↔ HF + OH reaction and quantum dynamics study of isotopic effect

Phys. Chem. Chem. Phys., 2021, 23: 8809-8816.

50 Apurba Nandi, Peng Zhang, Jun Chen, Hua Guo, Joel M. Bowman*

Vibration facilitated roaming in the isomerization of CO adsorbed on NaCl: A quasiclassical simulation based on cluster models

Nat. Chem., 2021, 13(3): 249-254.

49 Jiayu Huang, Jun Chen, Shu Liu*, Dong H. Zhang*

Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-atom Reactions

J. Phys. Chem. Lett., 2020, 11(20): 8560-8564.

48 Xilin Jia, Quan Zhou, Jun Chen, Lu Zhang*, Zhe-Ning Chen*

Theoretical Insight into the Structural Nonplanarity in Aromatic Fused-Ring Metallabenzenes

J. Phys. Chem. A, 2020, 124(35): 7071-7079.

47 Jun Chen, Seenivasan Hariharan, Jörg Meyer, Hua Guo*

Potential Energy Landscape of CO Adsorbates on NaCl(100) and Implications in Isomerization of Vibrationally Excited CO

J. Phys. Chem. C, 2020, 124(35): 19146-19156.

46 Jun Chen, Jun Li, Joel M. Bowman, Hua Guo*

Energy Transfer between Vibrationally Excited Carbon Monoxide based on a Highly Accurate Six-dimensional Potential Energy Surface

J. Chem. Phys., 2020, 153(5): 054310.

45 Yingzi Han, Jiangle Zhang, Xingtai Qiu, Yihuang Jiang, Jun Chen, Jing Yang, Zichao Tang*, Lansun Zheng

Composition, structure and reaction mechanism study of metal cluster complexes based on the time-of-flight mass spectrometry (in Chinese)

J. Xiamen Univ. Nat. Sci., 2020, 59(5): 850-863.

44 Kan Zhan, Ziyi Li, Jun Chen, Yaqi Hou, Jian Zhang, Runqing Sun, Zhengxiang Bu, Lingyun Wang, Miao Wang, Xinyu Chen, Xu Hou*

Tannic Acid Modified Single Nanopore with Multivalent Metal Ions Recognition and Ultra-Trace Level Detection

Nano Today, 2020, 33: 100868.

43 Zhen Chen†, Jun Chen†, Rongjun Chen, Ting Xie, Xingan Wang, Shu Liu*, Guorong Wu*, Dongxu Dai, Xueming Yang*, Dong H. Zhang*

Reactivity oscillation in the heavy-light-heavy Cl + CH₄ reaction

Proc. Natl. Acad. Sci. U.S.A, 2020, 117(17): 9202-9207.

42 Xiaoren Zhang†, Lulu Li†, Jun Chen, Shu Liu*, Dong H. Zhang*

Feshbach resonances in the F + H₂O → HF + OH reaction

Nat. Commun., 2020, 11: 223.

41 Qingfei Song, Jun Chen, Qingyong Meng*

Reduction Method for Quantum Dynamics Study on Large Period Cyclic Molecule (in Chinese)

Polym. Bull., 2019, (10): 74-79.

40 Tiangang Yang†, Long Huang†, Chunlei Xiao†, Jun Chen, Tao Wang, Dongxu Dai, Francois Lique, Millard Alexander*, Zhigang Sun*, Dong H. Zhang, Xueming Yang*, Daniel M. Neumark*

Enhanced Reactivity of Fluorine with para-Hydrogen in Cold Interstellar Clouds by Resonance-Induced Quantum Tunneling

Nat. Chem., 2019, 11(8): 744-749.

39 Yi Fan†, Zhizhi Sheng†, Jun Chen, Hong Pan, Baiyi Chen, Feng Wu, Shuli Wang, Xinyu Chen, Xu Hou*

Visual Chemical Detection Mechanism by Liquid Gating System with Dipole-Induced Interfacial Molecular Reconfiguration

Angew. Chem. Int. Ed., 2019, 58: 3967-3971.

38 Qingyong Meng*, Jun Chen*

Ring-Polymer Molecular Dynamics Study on Rate Coefficient of the Barrierless OH + CO System at Low Temperature

J. Chem. Phys., 2019, 150(4): 044307.

37 Xin Xu†, Jun Chen†, Shu Liu*, Dong H. Zhang*

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

J. Comput. Chem., 2019, 40(10): 1151-1160.

36 Peng Sun, Zhaojun Zhang, Jun Chen, Shu Liu*, Dong H. Zhang*

Well converged quantum rate constants for the H₂ + OH → H₂O + H reaction via transition state wave packet

J. Chem. Phys., 2018, 149(6): 064303.

35 Peng Sun, Jun Chen, Shu Liu*, Dong H. Zhang*

Accurate integral cross sections for the H + CO₂ → OH + CO reaction

Chem. Phys. Lett., 2018, 706: 675-679.

34 Tianhui Liu, Jun Chen, Zhaojun Zhang, Xiangjian Shen, Bina Fu*, Dong H. Zhang*

Water dissociating on rigid Ni(100): a quantum dynamics study on a full-dimensional potential energy surface

J. Chem. Phys., 2018, 148(14): 144705.

33 Bina Fu*, Jun Chen, Tianhui Liu, Kejie Shao, Dong H. Zhang*

Highly accurately fitted potential energy surfaces for polyatomic reactive systems (in Chinese)

Acta Phys. -Chim. Sin., 2019, 35(2): 145-157.

32 Jun Chen, Xin Xu, Shu Liu, Dong H. Zhang*

A neural network potential energy surface for F + CH₄ reaction including multiple channels based on coupled cluster theory

Phys. Chem. Chem. Phys., 2018, 20(14): 9090-9100.

31 Zhiqiang Zhao*, Jun Chen*, Zhaojun Zhang*, Dong H. Zhang*, Xiao-Gang Wang*, Tucker Carrington Jr.*, Fabien Gatti*

Computing energy levels of CH₄, CHD₃, CH₃D and CH₃F with a direct product basis and coordinates on the methyl subsystem

J. Chem. Phys., 2018, 148(7): 074113.

30 Fangfang Li†, Changwu Dong†, Jun Chen, Jiaxing Liu, Fengyan Wang*, Xin Xu*

The harpooning mechanism as evidenced in the oxidation reaction of the Al atom

Chem. Sci., 2018, 9(2): 488-494.

29 Xueyao Zhou, Francesco Nattino, Yaolong Zhang, Jun Chen, Geert-Jan Kroes*, Hua Guo*, Bin Jiang*

Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface

Phys. Chem. Chem. Phys., 2017, 19: 30540-30550.

28 Jun Chen†, Neil Qiang Su†, Xin Xu*, Dong H. Zhang*

Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional

J. Comput. Chem., 2017, 38(27): 2326-2334. (†Contributed equally.)

27 Peng Sun, Jun Chen, Shu Liu*, Dong H. Zhang*

A full-dimensional time-dependent wave packet study of the H + CO₂ → OH + CO reaction

Chem. Phys. Lett., 2017, 683: 352-356.

26 Qingyong Meng*, Jun Chen*

Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether

J. Chem. Phys., 2017, 146(2): 024108.

25 Xiangjian Shen*, Jun Chen, Yuemei Sun, Tianshui Liang

Hydrogen diffusion on Fe surface and into subsurface from first principles

Surf. Sci., 2016, 654: 48-55.

24 Tianhui Liu, Zhaojun Zhang, Jun Chen, Bina Fu*, Dong H. Zhang*

Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): An approximate full-dimensional quantum dynamics study

Phys. Chem. Chem. Phys., 2016, 18(38): 26358.

23 Kejie Shao, Jun Chen, Zhiqiang Zhao, Dong H. Zhang*

Communication: Fitting potential energy surfaces with fundamental invariant neural network

J. Chem. Phys., 2016, 145(7): 071101.

22 Zhiqiang Zhao, Jun Chen, Zhaojun Zhang*, Dong H. Zhang*, David Lauvergnat*, Fabien Gatti*

Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Application to methane and fluoromethane

J. Chem. Phys., 2016, 144(20): 204302.

21 Liuyang Chen, Kejie Shao, Jun Chen, Minghui Yang*, Dong H. Zhang

Full-dimensional quantum dynamics study of the H₂ + C₂H → H + C₂H₂ reaction on an ab initio potential energy surface

J. Chem. Phys., 2016, 144(19): 194309.

20 Qingyong Meng†*, Jun Chen†*, Dong H. Zhang*

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

J. Chem. Phys., 2016, 144(15): 154312. (†Contributed equally.)

19 Neil Qiang Su†, Jun Chen†, Xin Xu*, Dong H. Zhang*

Quantum reaction dynamics based on a new generation density functional and neural network potential energy surfaces (in Chinese)

Acta Phys. -Chim. Sin., 2016, 32(1): 119-130. (†Contributed equally.)

18 Jun Chen, Dong H. Zhang*

Construction of molecular reactive potential energy surfaces based on neural networks (in Chinese)

Sci. Sin. Chim., 2015, 45(12): 1241-1253.

17 Zhaojun Zhang, Jun Chen, Minghui Yang*, Dong H. Zhang*

Time-dependent wave packet study of the H₂ + CH₃ → H + CH₄ reaction

J. Phys. Chem. A, 2015, 119(50): 12480-12484.

16 Dequan Yu, Jun Chen, Shu-Lin Cong*, Zhigang Sun*

Theoretical Study of FH₂^- Electron photodetachment spectra on new ab initio potential energy surface

J. Phys. Chem. A, 2015, 119(50): 12193-12208.

15 Xiangjian Shen, Jun Chen, Zhaojun Zhang, Kejie Shao, Dong H. Zhang*

Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method

J. Chem. Phys., 2015, 143(14): 144701.

14 Qingyong Meng, Jun Chen, Dong H. Zhang*

Communication: Rate coefficients of the H + CH₄ → H₂ + CH₃ reaction from ring polymer molecular dynamics on a highly accurate potential energy surface

J. Chem. Phys., 2015, 143(10): 101102.

13 Jun Li†*, Jun Chen†, Zhiqiang Zhao, Daiqian Xie, Dong H. Zhang*, Hua Guo

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH₄ system

J. Chem. Phys., 2015, 142(20): 204302. (†Contributed equally.)

12 Neil Qiang Su†, Jun Chen†, Zhigang Sun, Dong H. Zhang*, Xin Xu*

H + H₂ quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals

J. Chem. Phys., 2015, 142(8): 084107. (†Contributed equally.)

11 Jun Chen, Zhigang Sun*, Dong H. Zhang*

An accurate potential energy surface for the F + H₂ → HF + H reaction by the coupled-cluster method

J. Chem. Phys., 2015, 142(2): 024303. (Featured article of J. Chem. Phys.)

10 Tiangang Yang†, Jun Chen†, Long Huang, Tao Wang, Chunlei Xiao*, Zhigang Sun*, Dongxu Dai, Xueming Yang*, Dong H. Zhang*

Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening

Science, 2015, 347(6217): 60-63. (†Contributed equally.)

9 Shu Liu, Jun Chen, Bina Fu, Dong H. Zhang*

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

Theor. Chem. Acc., 2014, 133: 1558.

8 Xin Xu†, Jun Chen†, Dong H. Zhang*

Global potential energy surface for the H + CH₄ ↔ H₂ + CH₃ reaction using neural networks

Chin. J. Chem. Phys., 2014, 27(4): 373-379. (†Contributed equally.)

7 Zhaojun Zhang, Jun Chen, Shu Liu, Dong H. Zhang*

Accuracy of the centrifugal sudden approximation in the H + CHD₃ ↔ H₂ + CD₃ reaction

J. Chem. Phys., 2014, 140(22): 224304.

6 Jun Li, Jun Chen, Dong H. Zhang*, Hua Guo*

Quantum and quasi-classical dynamics of the OH + CO → H + CO₂ reaction on a new permutationally invariant neural network potential energy surface

J. Chem. Phys., 2014, 140(4): 044327.

5 Tao Wang†, Jun Chen†, Tiangang Yang, Chunlei Xiao*, Zhigang Sun*, Long Huang, Dongxu Dai, Xueming Yang*, Dong H. Zhang*

Dynamical resonances accessible only by reagent vibrational excitation in the F + HD → HF + D reaction

Science, 2013, 342(6165): 1499-1502. (†Contributed equally.)

4 Jun Chen†, Xin Xu†, Xin Xu, Dong H. Zhang*

Communication: An accurate global potential energy surface for the OH + CO → H + CO₂ reaction using neural networks

J. Chem. Phys., 2013, 138(22): 221104. (†Contributed equally. Top 20 Most Read in June 2013 of J. Chem. Phys.)

3 Jun Chen, Xin Xu, Xin Xu, Dong H. Zhang*

A global potential energy surface for the H₂ + OH ↔ H₂O + H reaction using neural networks

J. Chem. Phys., 2013, 138(15): 154301.

2 Shu Liu, Jun Chen, Zhaojun Zhang, Dong H. Zhang*

Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH₄ → H₂ + CH₃ Reaction (J = 0)

J. Chem. Phys., 2013, 138(1): 011101.

1 Shu Liu, Chunlei Xiao, Tao Wang, Jun Chen, Tiangang Yang, Xin Xu, Dong H. Zhang*, Xueming Yang*

The dynamics of the D₂ + OH → HOD + D reaction: A combined theoretical and experimental study

Faraday Discussions, 2012, 157: 101-111.