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Jun Chen, Ph. D. - Publications

Affiliations: 
2020- Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 
Area:
Reaction Dynamics
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54 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Liu S, Zhang Z, Chen J, Zhang DH. Isotope Effect and Heavy-Light-Heavy Reactivity Oscillation in the Cl + CHD/CHT Reaction. The Journal of Physical Chemistry. A. PMID 38315118 DOI: 10.1021/acs.jpca.3c07348  0.395
2024 Xu X, Liu S, Chen J, Zhang DH. High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction. The Journal of Chemical Physics. 160. PMID 38265082 DOI: 10.1063/5.0187094  0.501
2023 Chen J, Wang F, Xu X. A global 2A″ state potential energy surface for the Al (2P) + O2 (Σg-3) → AlO (2Σ+) + O (3P) reaction based on the doubly hybrid functional XYG3. The Journal of Chemical Physics. 159. PMID 38078525 DOI: 10.1063/5.0176798  0.409
2023 Xu X, Chen J, Liu S, Zhang DH. Differential Cross Sections for the H + HS → H + SH Reaction: A Full-Dimensional State-to-State Quantum Dynamics Study. The Journal of Physical Chemistry. A. PMID 37921345 DOI: 10.1021/acs.jpca.3c05844  0.457
2023 Liu S, Chen J, Zhang X, Zhang DH. Feshbach resonances in the F + CHD → HF + CD reaction. Chemical Science. 14: 7973-7979. PMID 37502322 DOI: 10.1039/d3sc02629a  0.404
2022 Xu X, Chen J, Lu X, Fang W, Liu S, Zhang DH. Strong non-Arrhenius behavior at low temperatures in the OH + HCl → HO + Cl reaction due to resonance induced quantum tunneling. Chemical Science. 13: 7955-7961. PMID 35865883 DOI: 10.1039/d2sc01958b  0.536
2021 Lu D, Chen J, Guo H, Li J. Vibrational energy pooling collisions between asymmetric stretching excited CO: a quasi-classical trajectory study on an accurate full-dimensional potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 34671798 DOI: 10.1039/d1cp03687d  0.492
2021 Wang Y, Li Y, Chen J, Zhang IY, Xu X. Doubly Hybrid Functionals Close to Chemical Accuracy for Both Finite and Extended Systems: Implementation and Test of XYG3 and XYGJ-OS. Jacs Au. 1: 543-549. PMID 34467317 DOI: 10.1021/jacsau.1c00011  0.678
2021 Shang C, Chen J, Xu X, Liu S, Li L, Duo L, Zhang DH. Quantum Wave Packet Study of the H + Br → HBr + Br Reaction on a New Ab Initio Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 34383502 DOI: 10.1021/acs.jpca.1c05867  0.589
2021 Liu S, Zhang X, Chen J, Zhang DH. Feshbach Resonances in the Vibrationally Excited F + HOD(/ = 1) Reaction Due to Chemical Bond Softening. The Journal of Physical Chemistry Letters. 6090-6094. PMID 34170706 DOI: 10.1021/acs.jpclett.1c01586  0.465
2021 Zhang X, Chen J, Xu X, Liu S, Zhang DH. A neural network potential energy surface for the F + HO ↔ HF + OH reaction and quantum dynamics study of the isotopic effect. Physical Chemistry Chemical Physics : Pccp. 23: 8809-8816. PMID 33876040 DOI: 10.1039/d1cp00641j  0.562
2021 Nandi A, Zhang P, Chen J, Guo H, Bowman JM. Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl. Nature Chemistry. PMID 33462381 DOI: 10.1038/s41557-020-00612-y  0.496
2020 Huang J, Chen J, Liu S, Zhang DH. Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions. The Journal of Physical Chemistry Letters. 8560-8564. PMID 32972141 DOI: 10.1021/acs.jpclett.0c02606  0.443
2020 Chen J, Li J, Bowman JM, Guo H. Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface. The Journal of Chemical Physics. 153: 054310. PMID 32770901 DOI: 10.1063/5.0015101  0.493
2020 Chen Z, Chen J, Chen R, Xie T, Wang X, Liu S, Wu G, Dai D, Yang X, Zhang DH. Reactivity oscillation in the heavy-light-heavy Cl + CH reaction. Proceedings of the National Academy of Sciences of the United States of America. PMID 32277024 DOI: 10.1073/Pnas.1917618117  0.491
2020 Zhang X, Li L, Chen J, Liu S, Zhang DH. Feshbach resonances in the F + HO → HF + OH reaction. Nature Communications. 11: 223. PMID 31932595 DOI: 10.1038/S41467-019-14097-Y  0.547
2019 Yang T, Huang L, Xiao C, Chen J, Wang T, Dai D, Lique F, Alexander MH, Sun Z, Zhang DH, Yang X, Neumark DM. Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling. Nature Chemistry. PMID 31235895 DOI: 10.1038/S41557-019-0280-3  0.487
2019 Meng Q, Chen J. Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH + CO system at low temperature. The Journal of Chemical Physics. 150: 044307. PMID 30709288 DOI: 10.1063/1.5065657  0.318
2019 Fu B, Chen J, Liu T, Shao K, Zhang DH. Highly Accurately Fitted Potential Energy Surfaces for Polyatomic Reactive Systems Acta Physico-Chimica Sinica. 35: 145-157. DOI: 10.3866/Pku.Whxb201803281  0.373
2018 Xu X, Chen J, Liu S, Zhang DH. An ab initio-based global potential energy surface for the SH system and full-dimensional state-to-state quantum dynamics study for the H + HS → H S + H reaction. Journal of Computational Chemistry. PMID 30593713 DOI: 10.1002/Jcc.25746  0.58
2018 Sun P, Zhang Z, Chen J, Liu S, Zhang DH. Well converged quantum rate constants for the H + OH → HO + H reaction via transition state wave packet. The Journal of Chemical Physics. 149: 064303. PMID 30111127 DOI: 10.1063/1.5046890  0.486
2018 Liu T, Chen J, Zhang Z, Shen X, Fu B, Zhang DH. Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface. The Journal of Chemical Physics. 148: 144705. PMID 29655332 DOI: 10.1063/1.5023069  0.503
2018 Li F, Dong C, Chen J, Liu J, Wang F, Xu X. The harpooning mechanism as evidenced in the oxidation reaction of the Al atom. Chemical Science. 9: 488-494. PMID 29619204 DOI: 10.1039/C7Sc03314A  0.461
2018 Chen J, Xu X, Liu S, Zhang DH. A neural network potential energy surface for the F + CHreaction including multiple channels based on coupled cluster theory. Physical Chemistry Chemical Physics : Pccp. PMID 29564426 DOI: 10.1039/C7Cp08365C  0.539
2018 Zhao Z, Chen J, Zhang Z, Zhang DH, Wang XG, Carrington T, Gatti F. Computing energy levels of CH, CHD, CHD, and CHF with a direct product basis and coordinates based on the methyl subsystem. The Journal of Chemical Physics. 148: 074113. PMID 29471646 DOI: 10.1063/1.5019323  0.477
2018 Sun P, Chen J, Liu S, Zhang DH. Accurate integral cross sections for the H + CO2 → OH + CO reaction Chemical Physics Letters. 706: 675-679. DOI: 10.1016/J.Cplett.2018.07.025  0.526
2017 Zhou X, Nattino F, Zhang Y, Chen J, Kroes GJ, Guo H, Jiang B. Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 29115358 DOI: 10.1039/C7Cp05993K  0.511
2017 Chen J, Su NQ, Xu X, Zhang DH. Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional. Journal of Computational Chemistry. PMID 28786211 DOI: 10.1002/Jcc.24886  0.746
2017 Meng Q, Chen J. Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether. The Journal of Chemical Physics. 146: 024108. PMID 28088140 DOI: 10.1063/1.4973831  0.401
2017 Sun P, Chen J, Liu S, Zhang DH. A full-dimensional time-dependent wave packet study of the H + CO2→ OH + CO reaction Chemical Physics Letters. 683: 352-356. DOI: 10.1016/J.Cplett.2017.02.083  0.493
2016 Shao K, Chen J, Zhao Z, Zhang DH. Communication: Fitting potential energy surfaces with fundamental invariant neural network. The Journal of Chemical Physics. 145: 071101. PMID 27544080 DOI: 10.1063/1.4961454  0.489
2016 Liu T, Zhang Z, Chen J, Fu B, Zhang DH. Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 27524633 DOI: 10.1039/C6Cp04690H  0.463
2016 Meng Q, Chen J, Zhang DH. 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. The Journal of Chemical Physics. 144: 154312. PMID 27389225 DOI: 10.1063/1.4947097  0.478
2016 Zhao Z, Chen J, Zhang Z, Zhang DH, Lauvergnat D, Gatti F. Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane. The Journal of Chemical Physics. 144: 204302. PMID 27250301 DOI: 10.1063/1.4950028  0.462
2016 Chen L, Shao K, Chen J, Yang M, Zhang DH. Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface. The Journal of Chemical Physics. 144: 194309. PMID 27208951 DOI: 10.1063/1.4948996  0.499
2016 Su N, 复旦大学化学系，分子催化与功能材料上海市重点实验室，物质计算科学教育部重点实验室，上海 Chen J, Xu X, Zhang D, 中国科学院大连化学物理研究所，分子反应动力学国家重点实验室，理论与计算化学研究中心，辽宁大连 Acta Physico-Chimica Sinica. 32: 119-130. DOI: 10.3866/Pku.Whxb201512011  0.429
2016 Shen X, Chen J, Sun YM, Liang T. Hydrogen diffusion on Fe surface and into subsurface from first principles Surface Science. 654: 48-55. DOI: 10.1016/J.Susc.2016.08.005  0.338
2015 Yu D, Chen J, Cong S, Sun Z. The Journal of Physical Chemistry. A. PMID 26550683 DOI: 10.1021/Acs.Jpca.5B06153  0.434
2015 Zhang Z, Chen J, Yang M, Zhang DH. Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction. The Journal of Physical Chemistry. A. PMID 26495964 DOI: 10.1021/Acs.Jpca.5B07937  0.484
2015 Shen X, Chen J, Zhang Z, Shao K, Zhang DH. Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method. The Journal of Chemical Physics. 143: 144701. PMID 26472389 DOI: 10.1063/1.4932226  0.492
2015 Meng Q, Chen J, Zhang DH. Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface. The Journal of Chemical Physics. 143: 101102. PMID 26373990 DOI: 10.1063/1.4930860  0.521
2015 Li J, Chen J, Zhao Z, Xie D, Zhang DH, Guo H. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system. The Journal of Chemical Physics. 142: 204302. PMID 26026442 DOI: 10.1063/1.4921412  0.594
2015 Su NQ, Chen J, Sun Z, Zhang DH, Xu X. H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: validation of the density functionals. The Journal of Chemical Physics. 142: 084107. PMID 25725712 DOI: 10.1063/1.4913196  0.738
2015 Chen J, Sun Z, Zhang DH. An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method. The Journal of Chemical Physics. 142: 024303. PMID 25591349 DOI: 10.1063/1.4904546  0.539
2015 Yang T, Chen J, Huang L, Wang T, Xiao C, Sun Z, Dai D, Yang X, Zhang DH. Reaction dynamics. Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening. Science (New York, N.Y.). 347: 60-3. PMID 25554783 DOI: 10.1126/Science.1260527  0.511
2014 Li J, Chen J, Zhang DH, Guo H. Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface. The Journal of Chemical Physics. 140: 044327. PMID 25669543 DOI: 10.1063/1.4863138  0.591
2014 Zhang Z, Chen J, Liu S, Zhang DH. Accuracy of the centrifugal sudden approximation in the H + CHD₃ → H₂ + CD₃ reaction. The Journal of Chemical Physics. 140: 224304. PMID 24929385 DOI: 10.1063/1.4881517  0.514
2014 Xu X, Chen J, Zhang DH. Global Potential Energy Surface for the H+CH4↔H2+CH3 Reaction using Neural Networks Chinese Journal of Chemical Physics. 27: 373-379. DOI: 10.1063/1674-0068/27/04/373-379  0.526
2014 Liu S, Chen J, Fu B, Zhang DH. 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 Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1558-6  0.52
2013 Wang T, Chen J, Yang T, Xiao C, Sun Z, Huang L, Dai D, Yang X, Zhang DH. Dynamical resonances accessible only by reagent vibrational excitation in the F + HD->HF + D reaction. Science (New York, N.Y.). 342: 1499-502. PMID 24357315 DOI: 10.1126/Science.1246546  0.497
2013 Chen J, Xu X, Xu X, Zhang DH. Communication: an accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks. The Journal of Chemical Physics. 138: 221104. PMID 23781775 DOI: 10.1063/1.4811109  0.564
2013 Chen J, Xu X, Xu X, Zhang DH. A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks. The Journal of Chemical Physics. 138: 154301. PMID 23614417 DOI: 10.1063/1.4801658  0.573
2013 Liu S, Chen J, Zhang Z, Zhang DH. Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0). The Journal of Chemical Physics. 138: 011101. PMID 23298021 DOI: 10.1063/1.4774116  0.491
2012 Liu S, Xiao C, Wang T, Chen J, Yang T, Xu X, Zhang DH, Yang X. The dynamics of the D2 + OH --> HOD + D reaction: a combined theoretical and experimental study. Faraday Discussions. 157: 101-11; discussion 1. PMID 23230766 DOI: 10.1039/C2Fd20018J  0.527
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