2024
74. Ben Dong, Zhuo Li, Meng Guo, Yao Qu, Zhenzhou Sun, Li Yang, Rui Liu, Zhixian Xi, Jing Xie, Ji-Hu Su, Biao Wu, and Xiao-Juan Yang. Nickel Polyene(yl) Complexes Synthesized from a Dinuclear Ni(I) Compound and (Multi)cyclic Polyenes. Organometallics, 2024 (Accepted)
73. Jianwei Yang, Hengyu Xu, Jie Li, Ke Gong, Feiyu Yue, Xianghao Han, Ke Wu, Pengpeng Shao, Qingling Fu, Yuhao Zhu, Wenli Xu, Xin Huang, Jing Xie, Fengchao Wang, Wenxiu Yang, Teng Zhang, Zengshi Xu, Xiao Feng*, Bo Wang*. Oxygen- and proton-transporting open framework ionomer for medium-temperature fuel cells. Science, 2024, 385,1115. DOI:10.1126/science.adq2259
72. Xiangyu Wu, Fei Ying, Hongyi Wang, Li Yang, Jiaxu Zhang, Jing Xie* Roundabout Mechanism of Ion-Molecule Nucleophilic Substitution Reactions. ACS Physical Chemistry Au 2024, https://doi.org/10.1021/acsphyschemau.4c00061 （入选Editors' choice）
71. Ke Gong,# Abhijit Nandy,# Zhexuan Song, Quansong Li, Ali Hassanali, Giuseppe Cassone,* Shibdas Banerjee,* Jing Xie*. Revisiting the Enhanced Chemical Reactivity in Water Microdroplets: The Case of a Diels-Alder Reaction. J. Am. Chem. Soc. 2024. DOI:10.1021/jacs.4c09400 (X-mol)
70. 赵素品，谢静.* 应用量化计算理解水分子的振动斯塔克效应. 大学化学. 2024 （已接收）
Supin Zhao, Jing Xie. Understanding the Vibrational Stark Effect of Water Molecules Using Quantum Chemistry Calculations. University Chemistry. 2024 (Accepted)
69. Chengdong Liu, Yun Li, Zheng Tang, Kai-Ge Gao, Jing Xie, Jun Tao,* Zi-Shuo Yao.* High-performance Pyroelectric Property Accompanied by Spin Crossover in a Single Crystal of Fe(II) Complex. Angew. Chem. Int. Ed. 2024, Accepted
68. Zhexuan Song,# Chenghui Zhu,# Ke Gong, Ruijing Wang, Jianze Zhang, Supin Zhao, Zesheng Li, Xinxing Zhang*, Jing Xie.* Deciphering the Microdroplet Acceleration Factors of Aza-Michael Addition Reactions. J. Am. Chem. Soc. 2024 DOI: 10.1021/jacs.4c02312 （ChemistryViews, X-mol）
67. Xiangyu Wu, F. Matthias Bickelhaupt,* Jing Xie.* Solvent-Induced Dual Nucleophiles and the α-Effect in the SN2 versus E2 Competition. Phys. Chem. Chem. Phys. 2024, 26, 11320-11330. DOI: 10.1039/D4CP00671B 2024 PCCP HOT Paper
66. Xiangyu Wu, Chongyang Zhao, Shaowen Zhang,* Jing Xie.* Shapeshifting Nucleophile Singly-hydrated Hydroperoxide Anion Leads to the Occurrence of Thermodynamically Unfavoured SN2 Product. J. Phys. Chem. A 2024, 128, 2393-2398. DOI: 10.1021/acs.jpca.4c01159
65. Xiangyu Wu,# Yang Hu,# Shaowen Zhang,* Jing Xie.* Shapeshifting Nucleophiles HO‒(NH3)n React with Methyl Chloride. J. Phys. Chem. A 2024, 128, 2556-2564. DOI: 10.1021/acs.jpca.3c07553 Published as part of The Journal of Physical Chemistry A virtual special issue “Women Scientists in China”.
64. Zhixin Ren, Ke Gong, Bo Zhao, Shi-Lu Chen, Jing Xie.* Boosting the Catalytic Performance of Metalloporphyrin-Based Covalent Organic Frameworks via Coordination Engineering for CO2 and O2 Reduction. Mater. Chem. Front. 2024, 8, 1958-1970. DOI: 10.1039/D3QM01315D（微信公众号）
63. Ke Gong,# Yifan Meng,# Richard N. Zare,* Jing Xie.* Molecular Mechanism for Converting Carbon Dioxide Surrounding Water Microdroplets Containing 1,2,3-Triazole to Formic Acid. J. Am. Chem. Soc. 2024, 146, 12, 8576–8584. DOI: 10.1021/jacs.4c00529 （X-mol网站，微信公众号）
62. Kaiyip Chan,# Fei Ying,# Dongyu He, Li Yang, Yanxia Zhao, Jing Xie,* Ji-Hu Su,* Biao Wu, Xiao-Juan Yang.* One-Electron (2c/1e) Tin‧‧‧Tin Bond Stabilized by ortho-Phenylenediamido Ligands. J. Am. Chem. Soc. 2024, 146, 4, 2333–2338. doi.org/10.1021/jacs.3c11893
61. Zhejiaji Zhu#, Yuhao Zhu#, Zhixin Ren#, Di Liu, Feiyu Yue, Dafei Sheng, Pengpeng Shao, Xiuying Huang, Xiao Feng*, An-Xiang Yin*, Jing Xie*, Bo Wang.* A Covalent Organic Framework Ionomer Steering the CO2 Electroreduction Pathway on Cu at Industrial-grade Current Density. J. Am. Chem. Soc. 2024, 146, 2, 1572–1579. doi.org/10.1021/jacs.3c11709
60. Yixin Wang, Xin Wang,* Bo Zhao, Zhixin Ren, Zishuo Yao, Wei Wei,* Jie Wang, Jinwen Qin, Jing Xie,* Minhua Cao.* Molecular-level identification of organic species of ether-based solid-electrolyte interphase in sodium-ion batteries. Nano Energy 2024, 120, 109163. doi.org/10.1016/j.nanoen.2023.109163
2023
59. Zhexuan Song,‡ Chiyu Liang,‡ Ke Gong, Supin Zhao, Xu Yuan, Xinxing Zhang,* Jing Xie.* Harnessing the High Interfacial Electric Fields on Water Micro-droplet to Accelerate Menshutkin Reactions. J. Am. Chem. Soc. 2023, 145, 48, 26003–26008. doi.org/10.1021/jacs.3c11650 (X-mol公众号宣传, 北理工学术网宣传）
58. Fei Ying, Bo Zhao, Zhixin Ren, Jing Xie*. Graphene Supported Single Atom Ni as High-Performance Catalyst for Direct Methane to Methanol Conversion. J. Phys. Chem. C 2023, 127, 39, 19527–19535.
57. Yi Han, Fei Ying, Enxi Wu, Xiaoxiao Yu, Guangpeng Gao, Jing Xie, Xu-Hui Jin*. Thermal-responsive ground-state spin switching in novel butterfly-shaped overcrowded ethylene featuring a benzodithiophene core. Org. Chem. Front. 2023, 10, 3989.
56. Xin Huang, Shuyi Jiang, Dou Ma, Jing Xie,* Xiao Feng,* Bo Wang.* Molecular Exclusion Separation of 1-Butene Isomers by a Robust Metal–Organic Framework under Humid Conditions. Angew. Chem. Int. Ed. 2023, e202303671.
55. Yong-Qi Ding, Fei Ying, Ying Li, Jing Xie, Jia-Bi Ma.* Conversion of Dinitrogen and Oxygen to Nitric Oxide Mediated by Triatomic Yttrium Cations: Reversible N–N Bond Switching. Inorg. Chem. 2023, 62(15), 6102–6108.
54. Zhixin Ren, Bo Zhao, Jing Xie* Designing N-confused Metalloporphyrin-based Covalent Organic Frameworks for Enhanced Electrocatalytic Carbon Dioxide Reduction. Small 2023, 2301818. 微信公众号宣传
53. Shuyi Jiang, Hao Sun, Ke Gong, Xin Huang, Yuhao Zhu, Xiao Feng,* Jing Xie,* Jingyao Liu,* Bo Wang.* Metal-Organic Frameworks for Breakthrough Separation of 2-Butene Isomers with High Dynamic Selectivity and Capacity. Angew. Chem. Int. Ed. 2023, 62, e202302036. DOI: 10.1002/anie.202302036
52. Xiaoxiao Yu, Ke Gong, Shuyao Tian, Guangpeng Gao, Jing Xie*, Xu-Hui Jin*. Hydrophilic Fully Conjugated Covalent Organic Framework for Photocatalytic CO2 Reduction to CO Nearly 100% by Pure Water. J. Mater. Chem. A. 2023 11, 5627-5635.
51. 宋哲轩，胡阳，吴翔钰，谢静*. 对“应用量子化学计算理解溶剂对CH3O−/CH3S−亲核性的影响”的思考与拓展,大学化学,2023, 38 (9), 280-286. DOI: 10.3866/PKU.DXHX202211018
Zhexuan Song, Yang Hu, Xiangyu Wu, Jing Xie. Comment and Improvement on “Understanding the Effect of Solvents on the Nucleophilicity of CH3O−/CH3S− Using Quantum Chemical Calculations”. University Chemistry, 2023, 38 (9): 280-286.
50. Xiangyang Li#, Fangshuai Chen#, Bo Zhao, Shaohua Zhang, Xiaoyu Zheng, Ying Wang, Xuting Jin, Chunlong Dai, Jiaqi Wang, Jing Xie*, Zhipan Zhang and Yang Zhao*. Ultrafast synthesis of metal layered hydroxides in a dozen seconds for high performance aqueous Zn (micro-) battery. Nano-Micro Lett. 2023, 15, 32. DOI: 10.1007/s40820-022-01004-2
49. Bo Zhao, Zhixin Ren, Zesheng Li, Guoqiang Tan, Jing Xie*. Encapsulate lithium sulfide cathodes with carbon-doped MoS2 for fast kinetics in lithium-sulfur batteries, a theoretical study. Acta Mater. 2023, 242, 118441.
48. Yang Hu, Xiangyu Wu, Jing Xie* Nucleophilic Substitution Reactions of Microsolvated Hydroperoxide Anion HOO−(NH3)n with Methyl Chloride and Comparison Between Ammonia and Water as Solvent. Phys. Chem. Chem. Phys. 2023, 25, 1947-1956. DOI: 10.1039/D2CP04693H
2022
47. Fei Ying, Linhao Wang, Chongyang Zhao, Jing Xie*. Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase. ChemPhysChem 2023, 24, e202200789. DOI:10.1002/cphc.202200789
46. Fei Ying, Xu Yuan, Xinxing Zhang*, Jing Xie*. Stabilizing Halogen-Bonded Complex between Metallic Anion and Iodide. Molecules, 2022, 27, 8069.
45. Qingnuan Zhan，Shuda Dong，Pengpeng Shao, Yuhao Zhu, Zhenjie Mu, Dafei Sheng, Teng Zhang, Xin Jiang, Ruiwen Shao, Zhixin Ren, Jing Xie, Xiao Feng*, Bo Wang*.Covalent organic framework–based porous ionomers for high-performance fuel cells. Science, 2022, 378 (6616), 181-186. DOI: 10.1126/science.abm63
Science Perspective 文章：Hydrogen power gets a boost
相关推送：Science发表！突破固有思维，北理工首次构筑燃料电池多孔离聚物 （https://mp.weixin.qq.com/s/uIT1Fj59UVEMJ5f0YByefA，https://mp.weixin.qq.com/s/-7-B6g62tlHu4bWq5r8F6A）
44. XuechunHao, Junfan Zhang, Jing Wang,* Bo Zhao, Mengmeng Qian, Ran Wang, Qiang Yuan, Xiaoyan Zhang, Xinwei Huang, Hanlou Li, Chuguang Yu, Jing Xie, Feng Wu, Guoqiang Tan.* Metallothermic-synchronous construction of compact dual-two-dimensional MoS2-graphene composites for high-capacity lithium storage. Nano Energy, 2022, 103, 107850
43. Jing Wang,# Qiang Yuan,# Zhixin Ren,# Chunhao Sun, Junfan Zhang, Mengmeng Qian, Qi Shi, Ruiwen Shao, Daobin Mu, Yuefeng Su, Jing Xie,* Feng Wu,* Guoqiang Tan.* Thermochemical Cyclization Constructs Bridged Dual-Coating of Ni-Rich Layered Oxide Cathodes for High-Energy Li-Ion Batteries. Nano Lett. 2022, 22, 5221-5229.
42. Jin-Peng Xue, Yang Hu, Bo Zhao, Zhi-Kun Liu, Jing Xie, Zi-Shuo Yao,* and Jun Tao.* A spin-crossover framework endowed with pore-adjustable behavior by slow structural dynamics. Nat. Commun. 2022, 13, 3510.
41. Xiangyu Wu, Chongyang Zhao,* Jing Xie,* Microsolvated Ion-Molecule SN2 Reactions with Dual Nucleophiles Induced by Solvent Molecules. ChemPhysChem, 2022, 23, e202200285. DOI: 10.1002/cphc.202200285
40. Xiangyu Wu, Shaowen Zhang,* Jing Xie,* Investigating the Competing E2 and SN2 Mechanisms for the Microsolvated HO-(H2O)n=0-4 + CH3CH2Y Reactions. Phys. Chem. Chem. Phys. 2022, 24, 12993-13055. DOI: 10.1039/D1CP04010C
39. Xianghao Han, Ke Gong, Xin Huang, Jianwei Yang, Xiao Feng,* Jing Xie,* and Bo Wang.* Syntheses of Covalent Organic Frameworks via a One-Pot Suzuki Coupling and Schiff’s Base Reaction for C2H4/C3H6 Separation. Angew. Chem. Int. Ed. 2022, e202202912
38. Xiaoyan Ji, Jing Xie*. Proton transfer-induced competing product channels of microsolvated Y-(H2O)n + CH3I (Y = F, Cl, Br, I) reactions. Phys. Chem. Chem. Phys. 2022, 24, 7539 - 7550
37. Bo Zhao, Zhixin Ren, Guoqiang Tan, Zesheng Li, Jing Xie*.Defects on Li2S@Graphene Cathode Improves the Performance of Lithium-Sulfur Battery, A Theoretical Study. Acta Mater. 2022, 226, 117632. DOI: 10.1016/j.actamat.2022.117632 微信公众号宣传
36. Fan Wang, Xiaoyan Ji, Fei Ying, Jiatao Zhang, Chongyang Zhao*, Jing Xie* Computational Studies of Coinage Metal Anion M– + CH3X (X=F, Cl, Br, I) Reactions in Gas Phase. Molecules, 2022, 27, 307. DOI: 10.3390/molecules27010307
2021
35. Yun Li, Bo Zhao, Jin-Peng Xue, Jing Xie, Zi-Shuo Yao,* Jun Tao.* Giant single-crystal-to-single-crystal transformations associated with chiral interconversion induced by elimination of chelating ligands. Nat. Commun. 2021,12, 6908. DOI: 10.1038/s41467-021-27282-9
34. Junfan Zhang, Jing Wang, Mengmeng Qian, Bo Zhao, Ran Wang, Xuechun Hao, Xinwei Huang, Ruiwen Shao, Zhenyu Xing, Jing Xie, Bing Xu, Yuefeng Su, Feng Wu, Guoqiang Tan. Lithiothermic-Synchronous Construction of Mo-Li2S-Graphene Nanocomposites for High-Energy Li2S//Si-C Battery. Adv. Funct. Mater. 2021, 2108305. DOI:10.1002/adfm.202108305
33. Mengxi Zhang, Anke Yu, Xiangyu Wu, Pengpeng Shao, Xin Huang, Dou Ma, Xianghao Han, Jing Xie, Xiao Feng, Bo Wang. Sealing functional ionic liquids in conjugated microporous polymer membrane by solvent-assisted micropore tightening. Nano Res. 2021, 15, 2552-2557. DOI: 10.1007/s12274-021-3750-z
32. Chongyang Zhao, Xinyou Ma, Xiangyu Wu, Ditte L. Thomsen, Veronica Bierbaum,* Jing Xie* Single Solvent Molecules Induce Dual Nucleophiles in Gas-Phase Ion-Molecule Nucleophilic Substitution Reactions. J. Phys. Chem. Lett. 2021, 12, 7134-7139.
31. L. Qin, C. Zhao, L. Yao, H. Dou, M. Zhang, J. Xie, T. C. Weng, H. Lv,* G. Yang* Efficient Photogeneration of Hydrogen Boosted by Long-Lived Dye-Modified Ir(III) Photosensitizers and Polyoxometalate Catalyst. CCS Chemistry, 2021, 3, 651-663.
30. X. Ji, C. Zhao, J. Xie.* Investigating the Role of Halogen-Bonded Complex in Microsolvated Y-(H2O)n+ CH3I SN2 Reactions. Phys. Chem. Chem. Phys. 2021, 23, 6349-6360. 2021 PCCP Hot Paper
29. F. Ma, J. Xie, X. Zheng,* Z. Li.* Binding Properties of Cucurbit[7]uril to Neutral and Protonated Amino Acids: A Theoretical Study. Int. J. Quantum Chem. 2021, 121, e26491.
2020
28. Xing, Z., Tan, G., Yuan, Y., Wang, B., Ma, L., Xie, J., Li, Z., Wu, T., Ren, Y., Shahbazian-Yassar, R., Lu*, J., Ji*, X., Chen*, Z. “Consolidating Lithiothermic-Ready Transition Metals for Li2S-Based Cathodes” Adv. Mater., 2020, 32(31), 2002403.
27. D. Ray,# J. Xie,# J. White, G. E. Sigmon, L. Gagliardi, A. E. Hixon.* Experimental and quantum mechanical characterization of an oxygen‐bridged plutonium(IV) dimer. Chem. Eur. J. 2020, 26，8115-8120.
26. J. K. Pagano,# J. Xie, # K. A. Erickson, S. K. Cope, B. L. Scott, R. Wu, R. Waterman, D. E. Morris,* P. Yang,* L. Gagliardi,* J. L. Kiplinger.* Actinide 2-metallabiphenylenes that satisfy Hückel’s Rule. Nature, 2020, 578, 563–567.
相关报道：
ChemistryWorld: Uranium and thorium make their debut in dual aromatic–antiaromatic molecule
ChemistryViews: First Metallabiphenylene Analogues Synthesized
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x-mol：Nature：符合“休克尔定律”的锕系2-金属取代亚联苯化合物
2019
25. R. C. Cammarota,# J. Xie,# S. A. Burgess, M. V. Vollmer, K. D. Vogiatzis, J. Ye, J. C. Linehan, A. M. Appel, C. Hoffmann, X. Wang, V. G. Young Jr, C. C. Lu.* Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct. Chem. Sci. 2019, 10, 7029-7042
24. J. Xie, J. Zhang, R. Sun, R. Wester, W. L. Hase.* Correlation between the Velocity Scattering Angle and Product Relative Translational Energy for SN2 Reactions. Comparison of Experiments and Direct Dynamics Simulations. Int. J. Mass. Spectrom. 2019, 438, 115-123
2018
23. J. Xie, H. A. Neal, Jennifer Szymanowski, Peter C. Burns, Todd M. Alam, M. Nyman,* L. Gagliardi.* Resolving Confined 7Li Dynamics of Uranyl Peroxide Capsule U24. Inorg. Chem. 2018, 57 (9), 5514–5525
22. M. V. Vollmer,# J. Xie,# R. C. Cammarota, V. G. Young Jr., E. Bill,* L. Gagliardi,* C. C. Lu*. Formal nickelate(−I) complexes supported by group 13 ions. Angew. Chem. Int. Ed. 2018, 57, 7815-7819 (#co-first author, IF：11.99)
21. J. Ye,* R. C. Cammarota, J. Xie, M. V. Vollmer, D. G. Truhlar, C. J. Cramer, C. C. Lu,* L. Gagliardi.* Rationalizing the Reactivity of Bimetallic Molecular Catalysts for CO2 Hydrogenation. ACS Catal. 2018. 8, 4955–4968（IF：10.61)
2017
20. M.V. Vollmer, J. Xie, C.C. Lu.* Stable Dihydrogen Complexes of Cobalt(−I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands. J. Am. Chem. Soc., 2017,139(19), 6570-6573（IF：13.86）
19. R. C. Cammarota, M. V. Vollmer, J. Xie, J. Ye, J. C. Linehan, S. A. Burgess, A. M. Appel, L. Gagliardi, and C. C. Lu.* A Bimetallic Nickel–Gallium Complex Catalyzes CO2 Hydrogenation via the Intermediacy of an Anionic d10 Nickel Hydride, J. Am. Chem. Soc., 2017, 139 (40), 14244–14250 (IF：13.86）
18. N. H. Anderson, J. Xie, D. Ray, M. Zeller, L. Gagliardi, S. C. Bart.* Elucidating Bonding Preferences in Tetrakis(imido)uranate(VI) Dianions. Nat. Chem. 2017, 9, 850–855（IF：25.87)
17. J. Xie, X. Ma, J. Zhang, P. M. Hierl, A. A. Viggiano, W. L. Hase.* Effect of Microsolvation on the OH-(H2O)n + CH3I Rate Constant. Comparison of Experiment and Calculations for OH-(H2O)2 + CH3I. Int. J. Mass. Spectrom. 2017, 418, 122-129
16. X. Liu, J. Xie, L. Yang,* J. Zhang,* W. L. Hase. Steric Effects of Solvent Molecules on SN2 Substitution Dynamics. J. Phys. Chem. Lett., 2017, 8.8, 1885-1892（IF：8.54)
15. S. Pratihar, X. Ma, J. Xie, R. Scott, E. Gao, B. Ruscic, A. J. A. Aquino, D. W. Setser, W. L. Hase.* Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment. J. Chem. Phys. 2017, 147, 144301
14. L. Yang, X. Liu, J. Zhang,* J.Xie. Effect of microsolvation on a SN2 reaction. Indirect atomistic dynamics and weakened suppression of reactivity. Phys. Chem. Chem. Phys. 2017, 19.15, 9992.
13. L. Yang, J. Zhang,* J. Xie, C. Zhao. Competing E2 and SN2 Mechanisms for the F- + CH3CH2I Reaction. J. Phys. Chem. A. 2017, 121 (5), 1078–1085
2016
12. J. Xie, W. L. Hase.* Rethinking the SN2 reaction. Science, 2016, 6281 (352), 32-33. （IF：37.21)
11. J. Zhang, L. Yang,* J. Xie, W. L. Hase. Microsolvated F-(H2O) + CH3I SN2 Reaction Dynamics. Insight into the Suppressed Formation of Solvated Products. J. Phys. Chem. Lett., 2016, 7 (4), 660–665.
2015
10. J. Xie, R. Otto, R. Wester, W. L. Hase.* Chemical dynamics simulations of the monohydrated OH-(H2O) + CH3I reaction. Atomic-level mechanisms and comparison with experiment. J. Chem. Phys. 2015, 142, 244308.
9. J. Xie, M. McClellan, R. Sun, S. C. Kohale, N. Govind, W. L. Hase.* Direct Dynamics Simulation of Dissociation of the [CH3--I--OH]- Ion-Molecule Complex. J. Phys. Chem. A 2015, 119, 817-825.
8. J. Xie, J. Zhang, W. L. Hase.* Is There Hydrogen Bonding for Gas Phase SN2 Pre-Reaction complexes? Int. J. Mass. Spectrom. 2015, 378, 14-19
7. J. Xie, Scott, M. J., Hase,* W. L., Hierl, P. M., Viggiano, A. A. Determination of the Temperature-Dependent OH-(H2O) + CH3I Rate Constant by Experiment and Simulation. Zeitschrift für Physikalische Chemie, 2015, 229(10-12), 1747-1763.
6. J. Zhang, J. Xie, W. L. Hase.* Dynamics of the F–+ CH3I→ HF+ CH2I– Proton Transfer Reaction. J. Phys. Chem. A, 2015, 119(50), 12517-12525.
5. R. Sun, J. Xie, J. Zhang, W. L. Hase.* The F- + CH3I → FCH3 + I- Entrance Channel Potential Energy Surface. Comparison of Electronic Structure Methods. Int. J. Mass. Spectrom. 2015, 377, 222-227.
2014-2012
4. J. Xie, R. Otto, J. Mikosch, J. Zhang, R. Wester, W. L. Hase.* Identification of Atomic-Level Mechanisms for Gas-Phase X- + CH3Y SN2 Reactions by Combined Experiments and Simulations. Acc. Chem. Res. 2014, 47, 2960-2969（影响因子：20.27)
3. J. Xie, S. C. Kohale, W. L. Hase,* S. G. Ard, J. J. Melko, N. S. Shuaman, A. A. Viggiano, Temperature Dependence of the OH- + CH3I Reaction Kinetics. Experimental and Simulation. J. Phys. Chem. A, 2013, 117,14019–14027.
2. J. Xie, R. Sun, M. R. Siebert, R. Otto, R. Wester, W. L. Hase.* Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment. J. Phys. Chem. A, 2013, 117, 7162–7178
1. R. Otto, J. Xie, J. Brox, S. Trippel, M. Stei, T. Best, M. R. Siebert, W. L. Hase, R. Wester.* Reaction Dynamics of Temperature-Variable Anion Water Clusters Studied with Crossed Beams and by Direct Dynamics. Faraday Discuss. 2012, 157, 41-57.
