2019年 

1. Tiantian Wang, Wujie Qiu, Qi Feng, Kui Huang, Xiaolin Zhao, Qisheng Bao, Youwei Wang, Guannan Zhu, Jianjun Liu*. "The critical role of oxygen-evolution kinetics in the electrochemical stability of oxide superionic conductors",J Mater. Chem. A, 2019, 7, 17008-17013. (IF=10.73) 

2. Wujie Qiu, Zuosheng Li, Keyi Chen, Chilin Li, Jianjun Liu*, Wenqing Zhang. "Stabilizing Low-Coordinated O Ions To Operate Cationic and Anionic Redox Chemistry of Li-Ion Battery Materials", ACS Appl. Mater. Interfaces, 2019, 11, 37768-37778. (IF=8.46) 

3. Youwei Wang, Erhong Song, Wujie Qiu, Xiaolin Zhao, Yao Zhou, Jianjun Liu*, Wenqing Zhang. "Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts", Prog. Nat. Sci., 2019, 29, 256-264. (IF=3.31) 

4. Han Lin, Wujie Qiu, Jianjun Liu, Luodan Yu, Shanshan Gao, Heliang Yao, Yu Chen, Jianlin Shi. "Silicene: Wet-Chemical Exfoliation Synthesis and Biodegradable Tumor Nanomedicine", Adv. Mater., 2019, 31, 1903013. (IF=25.81) 

5. Lili Yang, Yusi Peng, Yong Yang, Jianjun Liu, Haoliang Huang, Bohan Yu, Jimin Zhao, Yalin Lu, Zhengren Huang, Zhiyuan Li, John R. Lombardi. "A Novel Ultra-Sensitive Semiconductor SERS Substrate Boosted by the Coupled Resonance Effect", Adv. Sci., 2019, 6, 1900310. (IF=15.80) 

6. Li Xie, Yongjin Chen, Ruiheng Liu, Erhong Song, Tong Xing, Tingting Deng, Qingfeng Song, Jianjun Liu, Renkui Zheng, Xiang Gao, Shengqiang Bai, Lidong Chen. "Stacking faults modulation for scattering optimization in GeTe-based thermoelectric materials", Nano Energy, 2019. (IF=15.55) 

7. Chun Fang, Zhao Ye, Yanjie Wang, Xiaolin Zhao, Ying Huang, Ruirui Zhao, Jianjun Liu, Jiantao Han, Yunhui Huang. "Immobilizing an organic electrode material through π–π interaction for high-performance Li-organic batteries", J Mater. Chem. A, 2019, 7, 22398-22404. (IF=10.73) 

8. Chunlei Peng, Nian Ran, Gang Wan, Wanpeng Zhao, Zhaoyun Kuang, Zheng Lu, Chengjun Sun, Jianjun Liu, Lianzhou Wang, Hangrong Chen. "Engineering Active Fe Sites on Nickel-Iron Layered Double Hydroxide for Oxygen Evolution via Component Segregation", ChemSusChem, 2019. (IF=7.80) 

9. Xiaojun Zhang, Fengan Han, Songzhu Lin, Fang Chen, Mojie Sun, Jianjun Liu, Guangyi Li, Hao Tang, Aiqin Wang, Yu Cong, Ning Li. "Synthesis of Branched Octahydro-Indene with Methyl Benzaldehyde and Methyl Isobutyl Ketone", ACS Sustain. Chem. Eng., 2019, 7, 12023-12031. (IF=6.97) 

10. Kun Luan, Jianjun Liu, Baozhong Sun, Wei Zhang, Jianbao Hu, Xiaomeng Fang, Chen Ming, Erhong Song. "High strain rate compressive response of the Cf/SiC composite", Ceram. Int., 2019, 45, 6812-6818. (IF=3.45) 

11. Junling Xue, Yongliang Guo, Changdong Liu, Xinjun Sun, Wujie Qiu, Shoutian Sun, Xuezhi Ke. "Structural phase transitions and superconductivity of YC2 from first-principles calculations", Comput. Mater. Sci., 2019, 159, 120-126. (IF=2.64) 　　  

 

2018年

1. Yaojun Liu, Xiaolin Zhao, Chun Fang, Qing Liu, Ying Huang, Rui Zeng, Litao Kang, Jianjun Liu*, Yunhui Huang. Activating Aromatic Rings as Na-Ion StorageSites to Achieve High Capacity [J]. Chem 2018, 4(9):1–16.

2. Chao Ma, Xiaolin Zhao, Litao Kang, Kai-xue Wang, Jie-sheng Chen, Wenqing Zhang, Jianjun Liu*. "Non‐Conjugated Dicarboxylate Anode Materials for Electrochemical Cells", Angew Chem. Int. Ed., 2018, 57, 8865-8870. (IF=12.1)

3. Yao Zhou, Erhong Song, Jiadong Zhou, Junhao Lin, Ruguang Ma, Youwei Wang, Wujie Qiu, Ruxiang Shen, Kazutomo Suenaga, Qian Liu, Jiacheng Wang, Zheng Liu, and Jianjun Liu*. "Auto-optimizing Hydrogen Evolution Catalytic Activity of ReS2 through Intrinsic Charge Engineering", ACS Nano, 2018, 12, 4486. (IF=13.7)

4. Chao Zhu, Suxia Liang, Erhong, Song, Yuanjun Zhou, WenWang, Feng shan, Yantao shi, Ce Hao, Kuibo Yin, Tong Zhang, Jianjun Liu, Haimei Zheng, Litao Sun. "In-situ liquid cell transmission electron microscopy investigation on oriented attachment of gold nanoparticles", Nat. Commun., 2018,9, 421.(IF=12.3)

5. Dunping Cao, Zhenguo Yao, Jianjun Liu, Jincang Zhang, Chilin Li. "H-Nb2O5 wired by tetragonal tungsten bronze related domains as high-rate anode for Li-ion batteries", Energy Storage Material. 2018, 11, 152-160.

6. Xiaolin Zhao, Wujie Qiu, Chao Ma, Yingqin Zhao, Kaixue Wang, Wenqing Zhang, Litao Kang, Jianjun Liu*. "Superposed RedoxChemistry of Fused Carbon Rings in Cyclooctatetraene-Based Organic Molecules for High-Voltage and High-Capacity Cathodes", ACSAppl. Mater. Interfaces, 2018, 10, 2496–2503. (IF=8.09)

7. Youwei Wang, Wujie Qiu, Erhong Song, Feng Gu, Zhihui Zheng, Xiaolin Zhao, Yingqin Zhao, Jianjun Liu*, Wenqing Zhang."Adsorption-energy-based activity descriptors for electrocatalysts in energy storage applications", Natl. Sci. Rev., 2018, 5, 327–341.(IF=9.40)

 

2017年

1. Qingyuan, Bi, Xin Wang, Feng Gu, Xianlong, Du, Hongliang, Bao, Huoheng Yin, Jianjun Liu, Fuqiang Huang. "ProminentElectron Penetration through Ultrathin Graphene Layer from FeNi Alloy for Efficient Reduction of CO2 to CO", ChemSusChem, 201710, 3044-3048. (IF=7.41)

2. Chao Ma, Xiaolin Zhao, Michelle M. Harris, Jianjun Liu, Kai-Xue Wang, Jie-Sheng Chen. "Uric Acid as an ElectrochemicallyActive Compound for Sodium-Ion Batteries: Stepwise Na+-Storage Mechanisms of pi-Conjugation and Stabilized Carbon Anion", ACSAppl. Mater. Interfaces, 2017, 9, 33934-33940. (IF=8.09)

3. Min Wang, Xiangqian Fan, Lingxia Zhang, Jianjun Liu*, Beizhou Wang, Ruolin Cheng, Mengli Li, Jianjian Tian, Jianli Shi. "Probingthe role of O-containing groups in CO2 adsorption of N-doped porous activated carbon", Nanoscale, 2017, 9, 17593-17600. (IF=7.76)

4. Yingbin Tan, Zhihui Zheng, Shiting Huang, Yongzhe Wang, Zhonghui Cui, Jianjun Liu*, Xiangxin Guo. "Immobilization ofsulfur by constructing three-dimensional nitrogen rich carbons for long life lithium–sulfur batteries", J. Mater. Chem. A, 2017, 5, 8360-8366. (IF=9.93)

5. Lewei He, Youwei Wang, Fan Wang, Sanpei Zhang, Xiangwei Wu, Zhaoyin Wen, Jianjun Liu*, Wenqing Zhang. "Influence ofCu2+ doping concentration on the catalytic activity of CuxCo3-xO4 for rechargeable Li–O2 batteries", J. Mater. Chem. A, 2017, 5, 18569-18576.(IF=9.93)

6. Ruguang Ma, Erhong Song, Yao Zhou, Zhenzhen Zhou, Guanghui Liu, Qian Liu, Jianjun Liu*, Yufang Zhu, Jiacheng Wang. "Ultrafine WC nanoparticles anchored on co-encased, N-doped carbon nanotubes for efficient hydrogen evolution", Energy storage Materials, 2017, 6, 104-111.

7. Yufeng, Shan, Zhihui Zheng, Jianjun Liu, Yong Yang, Zhiyuan Li, Zhengren Huang, Dongliang Jiang. "Niobium pentoxide: Apromising surface-enhanced raman scattering active semiconductor substrate", npj Computational Materials, 2017, 3, 11. (IF=8.94)

8. Ruguang Ma, Erhong Song, Yao Zhou, Zhenzhen Zhou, Guanghui Liu, Qian Liu, Jianjun Liu*, Yufang Zhu, Jiacheng Wang. "Ultrafine WC nanoparticles anchored on co-encased, N-doped carbon nanotubes for efficient hydrogen evolution", Energy storage Materials, 2017, 6, 104-111.

9. Songmei Sun, Qi An, Wenzhong Wang, Ling Zhang, Jianjun Liu*, William A. Goddard III, J. "Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots", J. Mater. Chem. A, 2017, 5, 201-209. (IF=9.93)

10. Beizhou Wang, Ning Zhao, Youwei Wang, Wenqing Zhang, Wencong Lu, Xiangxin Guo, Jianjun Liu*. "Electrolyte-controlled discharge product distribution of Na–O2 batteries: a combined computational and experimental study", Phys. Chem. Chem. Phys., 2017, 19, 2940-2949.(IF=3.90)

11. Youwei Wang, Wenqing Zhang, Lidong, Chen, Siqi Shi, Jianjun Liu*. "Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations", Science ＆ Technology of Advanced Materials, 2017, 18, 134-146. (IF=3.51)

 

2016年

1. Nan Shen, Bingrong Dong, Chuanxiang Cao, Zhang Chen, Jianjun Liu, Hongjie Luo, Yanfeng Gao. "Lowered phase transition temperature and excellent solar heat shielding properties of well-crystallized VO2 by W doping", Phys. Chem. Chem. Phys. 2016, 18, 28010-28017. (IF=4.45)

2. Youwei Wang, Yubo Zhang, Haiming Zhu, Jianjun Liu, Tianquan Lian, Wenqing Zhang. "Geometry strategy for engineering the recombination possibility of excitons in nanowires", Nanoscale, 2016, 8, 7318-7325. (IF=7.76)

3. Wugang Fan, Beizhou Wang, Xiangxin Guo, Xiangyang Kong, Jianjun Liu*, "Nanosize stabilized Li-deficient Li2-xO2 through cathode architecture for high performance Li-O2 batteries", Nano Energy, 2016, 27, 577-586. (IF=13.12)

4. Youwei Wang, Beizhou Wang, Feng Gu, Zhihui Zheng, Jianjun Liu*. "Tuning Electrochemical Reactions in Li-O2 Batteries", Nano Adv., 2016, 1, 17-24. (IF=13.1)

5. Ruguang Ma, Xiaodong Ren, Baoyu Xia, Yao Zhou, Chi Sun, Qiang Liu, Jianjun Liu*, Jiacheng Wang. "Novel synthesis of Ndoped graphene as an efficient electrocatalyst towards oxygen reduct", Nano Research, 2016, 9, 1-12. (IF=8.89)

6. Fan Wang, Zhaoyin Wen, Chen Shen, Xiangwei Wu, Jianjun Liu. "Synthesis of α-MnO2 nanowires modified by Co3O4 nanoparticles as a high-performance catalyst for rechargeable Li–O2 batteries", Phys. Chem. Chem. Phys., 2016, 18, 926-931. (IF=4.45)

7. Jinxin, Zhan, Hongxing, Dong, Shulin Sun, Xiaodong Ren, Yang Liu, Jianjun Liu, Zhanghai, Chen, Long Zhang. "Surface-energy driven Growth of ZnO Hexagonal Microtubes for Tunable Optical Resonators", Adv. Opt. Mater., 2016, 4, 126-134. (IF=5.36) 
 

2015年

1. Jianjun Liu, "Advanced Materials for Renewable Hydrogen Production, Storage and Utilization", Edited by Jianjun Liu, ISBN 978-953-51-2219-7, 144 pages, Publisher: InTech, Chapters published November 25, 2015 DOI: 10.5772／59520.（著作编辑，章节作者）

2. 王倍洲，王有伟，刘建军*，陆文聪，锂空气电池正极界面催化反应机理，中国材料进展2015，34, 933-937

3. Shi, Chen, Jianjun Liu*, Hongjie Luo, Yanfeng Gao. "A Calculation Evidence for Staged Mott and Peierls Transitions in VO2 Revealed by Mapping Reduced-Dimension Potential Energy Surface", J. Phys. Chem. Lett., 2015，6，3650–3656. (IF=8.54)

4. Jinzhen Zhu, Fan Wang, Beizhou Wang, Jianjun Liu*, Wenqing Zhang, Zhaoyin Wen. "Surface Acidity as Descriptor of Catalytic Activity for Oxygen Evolution Reaction in Li-O2 Battery", J. Am. Chem. Soc., 2015, 137, 13572-13581. (IF=13.04)

5. ZuoSheng Li, Beizhou Wang, Chilin Li, Jianjun Liu* and Wenqing Zhang. "Hydrogen-Bonding-Mediated Structural Stability and Electrochemical Performance in Iron Fluoride Cathode Materials", J. Mater. Chem. A, 2015, 3, 16222-16228. (IF=8.26)

6. Rui Gao, Jinzhen Zhu, Xiaoling Xiao, Zhongbo Hu, Jianjun Liu*, Xiangfeng Liu, "Facet-Dependent Electrocatalytic Performance of Co3O4 for Rechargeable Li–O2 Battery", J. Phys. Chem. C, 2015, 119, 4516–4523. (IF=4.51)

7. Jinzhen Zhu, Xiaodong Ren, Jianjun Liu*, Wenqing Zhang, Zhaoyin Wen. "Unraveling Catalytic Mechanism of Co3O4 for Oxygen Evolution Reaction in Li-O2 Battery", ACS Catalysis, 2015, 5, 73-81. (IF=9.31)

8. Xiaodong Ren, Beizhou Wang, Jinzhen Zhu, Jianjun Liu*, Wenqing Zhang, Zhaoyin Wen. "The doping effect on the catalytic activity of graphene for oxygen evolution reaction in a lithium–air battery: a first-principles study", Phys. Chem. Chem. Phys., 2015, 17, 14605-14612. (IF=4.45)

9. Jin Wang, Jinzhen Zhu, Xiaoxia Zhou, Yanyan Du, Weimin Huang, Jianjun Liu*, Wenqing Zhang, Jianlin Shi, Hangrong Chen. Nanoflower-like weak crystallization manganese oxide for efficient removal of low-concentration NO at room temperature", J. Mater. Chem. A, 2015, 3, 7631-7638. (IF=8.26)

10. Yajun Zhou, Lingxia Zhang, Jianjun Liu, Xiangqian Fan, Beizhou Wang, Min Wang, Wenchao Ren, Jin Wang, Mengli Li, Jianlin Shi. "Brand new P-doped g-C3N4: enhanced photocatalytic activity for H2 evolution and Rhodamine B degradation under visible light",J. Mater. Chem. A, 2015, 3, 3862-3867. (IF=8.26)

11. Junjie Xie, Yan Liu, Jianjun Liu, Lei Lei, qianqian Gao, Jiaqing Li, Songwang Wang. "Study on the Correlations between thestructure and photoelectric properties of CH3NH3PbI3 perovskite light-harvesting material", J. Power Source, 2015, 285, 349-353.(IF=6.33)

12. Jinzhen Zhu, Beizhou Wang, Jianjun Liu*, Huanwen Chen. "Theoretical studies of a 3D-to-planar structural transition in SinAl5-n+1,0,-1 (n = 0–5) clusters", RSC Adv., 2015, 5, 13923-13929. (IF=3.29)

 

2014年之前

1. Shi Chen, Jianjun Liu*, Hongjie Luo, Yanfeng Gao, “Unravelling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study”, J. Phys. Chem. C, 2014, 118, 18938–18944（IF=4.51）

2. Fuming Du, Xiaodong Ren, Jiong Yang, Jianjun Liu*, Wenqing Zhang, “Structures, Thermodynamics, and Li+ Mobility of Li10GeP2S12: A First-Principles Analysis”, J. Phys. Chem. C, 2014, 118, 10590–10595 (IF=4.51)

3. Lei Dai, Shi Chen, Jianjun Liu, Yanfeng Gao, Jiadong Zhou, Zhang Chen, Chuanxiang Cao, Hongjie Luo and Minoru Kanehira “F-doped VO2 nanoparticles for thermochromic energy-saving foils with modified color and enhanced solar-heat shielding ability” Phys. Chem. Chem. Phys., 2013,15, 11723-11729 (IF=4.45)

4. Shi Chen, Lei Dai, Jianjun Liu, Yanfeng Gao, Xinling Liu, Zhang Chen, Jiadong Zhou, Chuanxiang Cao, Penggang Han, Hongjie Luo and Minoru Kanahira, “The visible transmittance and solar modulation ability of VO2 flexible foils simultaneously improved by Ti doping: an optimization and first principle study”, Phys. Chem. Chem. Phys., 2013,15, 17537-17543 (IF=4.45)

5. Jianjun Liu*, Wenqing Zhang, Bilayer silicene with an electrically-tunable wide band gap, RSC Advance, 2013, 3, 21943. (IF=3.29)

6. Jianjun Liu, Lei Cheng, James Tryyel, Qingfeng Ge, “First-Principles Studies on Hydrogen Desorption Mechanism of MgnH2n (n = 3, 4)”, J. Phys. Chem. C, 2013, 117, 8099–8104. (IF=4.51)

7. Jianjun Liu, and Wenqing Zhang, “Improvement of Hydrogen Storage Properties in Metal Hydrides Materials”, in “Hydrogen Storage”, (eds, Jianjun Liu) page 29-48. (INTECH d. o. o., 2012), ISBN, 978-953-51-0731-6. （著作编辑，章节作者）

8. X. D. Ren, J. Liu*, W. Q. Zhang, Strain Effect on the Electrochemical Properties of Li2MnO3 Cathode Material: A First Principles Calculation, Key Engineering Materials, 2012, 519, 147-151.

9. 任晓栋，刘建军*，张文清，应变对层状锰系锂离子电池正极材料输出电压的影响, 物理学报 2012, 61, 183101-9

10. Jianjun Liu, James Tyrrell, and Qingfeng Ge, “Computational design nanostructure for hydrogen storage” in “Energy Efficiency and Renewable energy through Nanotechnology”, (eds, Ling Zang), (Springer-Verlag London Limited, 2011). （著作章节）

11. Jianjun Liu, Qingfeng Ge, “Using First-principles Metadynamics Simulation to Probe Phase Transition of NaAlH4”, J. Phys. Condens. Matt. 2011, 23 345401. (IF=2.21)

12. Jianjun Liu, Jiamei Yu, Qingfeng Ge, “Hydride-Assisted Hydrogenation of Ti-Doped NaH/Al: A Density-Functional Theory Study”, J. Phys. Chem. C, 2011, 115, 2522–2528. (IF=4.51)

13. Jianjun Liu, Jiamei Yu, Qingfeng Ge, “Transition Metal-Doped Aluminum Hydrides as Building Blocks for Supramolecular Assemblies”, J. Phys. Chem. A. 2010, 114, 12318-12322. (IF=2.69)

14. D. Stone, Jianjun Liu, D. P. Singh, C. Muratore, A. A. Voevodin, S. Mishra, C. Rebholz, Q. Ge., S. M. Aouadi, “Layered atomic structures of double oxides for low shear strength at high temperatures”, Scripta Materialia, 2010, 62, 735-738. (IF=3.31)

15. Jianjun Liu, Qingfeng, Ge, “Hydrogen interaction in Ti-doped LiBH4 for hydrogen storage: A density functional analysis”, Journal of Chemical Theory and Computation, 2009, 5, 3079–3087. (IF=5.30)

16. Jianjun Liu, You Han, and Qingfeng Ge, “Effect of Doped Transition Metal on Reversible Hydrogen Release/Uptake from NaAlH4”, Chemistry – A European Journal, 2008, 15, 1685-1695. (IF=5.77)

17. Jianjun Liu, Jeremiah Aeschleman, Lisa Rajan, Catherine Che, and Qingfeng Ge, “A comparative study of dehydrogenation energetic of B2H6, Al2H6, and Ga2H6 based on Density function theory” in “Materials Issues in a Hydrogen economy” (eds. Jena, P. Kandalam, A. and Sun, Q.), (World Science, Richmond, VA, 2007), 234-243. ISBN, 9789812838018; 9812838015. （著作章节）

18. Jianjun Liu, and Qingfeng Ge, “First-principles Study of Sc-catalyzed Complex Hydride NaAlH4 for Reverse Hydrogen Storage”, Journal of Alloy and Compounds. 2007, 446-447, 267-270. (IF=3.01)

19. Jianjun Liu, and Qingfeng Ge, “A First-Principles Analysis of Hydrogen Interaction in Ti-Doped NaAlH4 Surfaces: Structure and Energetics”, Journal of Physical Chemistry B, 2006, 110, 25863 -25868. (IF=3.19)

20. Jianjun Liu, and Qingfeng Ge, “A Precursor State for Formation of TiAl3 Complex in Reversible Hydrogen Desorption/Adsorption from Ti-doped NaAlH4”, Chemical Communication, 2006, 1822-1824. (IF=6.57)

21. Jianjun Liu, and Keiji Morokuma, “Ab Initio Potential Energy Surfaces of O2(X , a1Dg,b ) + O2(X , a1Dg, b ): Mechanism of Quenching of O2 (a1Dg)”, Journal of Chemical Physics, 2005, 123, 204319. (IF=2.89)

22. Jianjun Liu, Peng Zhang, Keiji Morokuma, and Ramesh Sharma “A New Reaction Mechanism for Dissociation of Excited Oxygen Molecule and Formation of Highly Vibrationally Excited OH in Mesosphere, An Ab Initio Study”, Journal of Chemical Physics, 2005, 122, 104315. (IF=2.89)

23. 程红，封继康，任爱民，刘建军, C74的结构、电子光谱及三阶非线性光学性质的理论研究, 化学学报, 2003, 61, 541-546.

24. 程红，封继康，任爱民，刘建军, 张刚,孙家钟 Ca@C74的结构、电子光谱及二阶非线性光学性质的理论研究, 高等化学学报, 2003, 24, 876-879.

25. Jian-Jun Liu, Yi-Hong Ding, Yu-Guo Tao, Ji-Kang Feng, and Chia-Chung Sun “Theoretical Study on the Mechanism of the 1CHCl + N2O Reaction”, Journal of Physical Chemistry A, 2002, 106, 8156-8166. (IF=2.69)

26. Jian-Jun Liu, Yi-Hong Ding,Yu-Guo Tao, Ji-Kang Feng, and Chia-Chung Sun, “Theoretical Study on the Mechanism of 3CH2 + NO2 Reaction”, Journal of Computational Chemistry, 2002, 23, 1031-1044 (IF=3.65)

27. Jian-Jun Liu, Yi-Hong Ding, Yu-Guo Tao, Ji-Kang Feng, and Chia-Chung Sun “Theoretical Study on the Mechanism of 1CHCl + NO”, Journal of Computational Chemistry, 2002, 23, 625-649. (IF=3.65)

28. Jian-Jun Liu, Yi-hong Ding; Ji-Kang Feng; and Chia-chung Sun, “Theoretical Study on the Mechanism of 1CHF + N2O Reaction”, Journal of Physical Chemistry A, 2002, 106, 2695-2706. (IF=2.69)

29. Jian-Jun Liu, Yi-hong Ding, Ji-Kang Feng, Yu-Guo Tao, and Chia-Chung Sun, “Theoretical Study on Mechanism of 3CH2 + N2O Reaction”, Journal of Physical Chemistry A, 2002, 106, 1746-1764. (IF=2.69)

30. Xiu-bin Zhang, Jian-Jun Liu, Ze-sheng Li, Jing-yao Liu, and Chia-chung Sun, “Theoretical Mechanistic Study on the Ion-Molecule Reactions of the CH+CH3OH Reaction”, Journal of Physical Chemistry A, 2002, 106, 3814-3818. (IF=2.69

31. Yu-Guo Tao, Yi-Hong Ding, Jian-Jun Liu, Ze-Sheng Li, Xu-Ri Huang; and Chia-Chung Sun, “Theoretical Mechanistic Study on the Ion-Molecule Reactions of CCN+/CNC+ with H2S”, Journal of Physical Chemistry A, 2002, 106, 2949-2962. (IF=2.69)

32. Yu-Guo Tao. Yi-Hong Ding. Jian-Jun Liu. Ze-Sheng Li. Xu-Ri Huang. and Chia-Chung Sun, “Theoretical Mechanistic Study on the Ion-molecule Reactions of CCN+/CNC+ with H2O and HCO+/HOC+ with HCN/HNC”, Journal of Chemical Physics, 2002, 116, 1892-1910. (IF=2.89)

33. 程红，封继康，任爱民，刘建军, C74的结构、电子光谱及三阶非线性光学性质的理论研究, 化学学报, 2002, 60, 830-834.

34. Jian-Jun Liu, Yi-hong Ding, Ji-Kang Feng, and Chia-chung Sun, “Theoretical Study on the Mechanism of the 1CHF + NO Reaction”, Journal of Physical Chemistry A, 2001, 105, 9901-9911. (IF=2.69)

35. Jian-Jun Liu, Ji-Kang Feng, Yi-hong Ding, Ai-min Ren, Su-fan Wang, Chia-Chung Sun, and Fan-Ao Kong “Theoretical Study on the Potential Energy Surface of the 1CH2+N2O Reaction”, Journal of Physical Chemistry A, 2001, 105, 5885-5895. (IF=2.69)

36. 刘建军, 封继康, 付伟, 任爱民,刘桂霞 CH2自由基与O2反应机理的研究, 物理化学学报, 2001, 17, 586-593.

37. Yu-Guo Tao, Yi-Hong Ding, Jian-Jun Liu, Ze-Sheng Li, Xu-Ri Huang, and Chia-Chung Sun, “Theoretical Study on Reaction Mechanism of the CF radical with Nitrogen Dioxide”, Journal of Computational Chemistry, 2001, 22, 1907-1919. (IF=3.65)

38. 王素凡, 封继康, 刘建军, 孙家钟, 刘鹏, 高振, 孔繁敖, 硅硫团簇[(SiS2)nS]+ (n=1～4)的结构及振动光谱的量子化学研究, 化学学报, 2000, 58, 1067-1073.

39. 王素凡, 封继康, 刘建军, 孙家钟, 刘鹏, 高振, 孔繁敖, 硅硫团簇(SiS2)n- (n = 1-5)的结构及振动光谱的量子化学研究,”, 高等学校化学学报, 2000, 21, 1273-1277.