主要从事含能材料的反应动力学研究和复杂分子体系激发态动力学研究。研究内容有：（1）利用量子化学理论计算方法研究含能材料的关键合成反应机理。（2）利用理论计算方法研究含能材料的燃烧与爆炸过程的动力学机理。（3）利用超快时间分辨光谱技术结合理论化学计算，研究复杂分子体系的激发态动力学。

招收物理化学专业、原子与分子物理专业的硕士与博士研究生。

070304-物理化学
070203-原子与分子物理

分子反应动力学

1998-09--2003-11   中国科学院大连化学物理研究所   博士
1995-09--1998-07   山东大学   硕士
1991-09--1995-07   山东大学   本科

中国科学院大连化学物理研究所 -- 研究生

中国科学院大连化学物理研究所 -- 博士

台湾清华大学化工系 博士后

   

2014-07~现在, 中国科学院大连化学物理研究所, 研究员
2008-09~2014-07,中国科学院大连化学物理研究所, 副研究员
2007-10~2008-08,中国科学院大连化学物理研究所, 副研究员
2003-11~2007-10,中国科学院大连化学物理研究所, 助理研究员

   

（1） 中国科学院沈阳分院优秀青年学者奖, , 其他, 2008

[1] 韩克利, 冯培, 杨阳, 刘建勇. 光电双激发纳秒时间分辨的电子光谱测量装置和测量方法. CN: CN110068555A, 2019-07-30.

[2] 韩克利, 张瑞玲, 杨阳, 刘建勇. 微秒时间分辨的超窄线宽红外吸收光谱测量装置与方法. CN: CN109557039A, 2019-04-02.

[3] 徐大力, 韩克利, 刘建勇, 杨阳, 刘本康. 一种用于光谱测量中的增强脉冲型光源装置及其实现方法. 中国: CN104457982A, 2015-03-25.

[4] 韩克利, 羊送球, 刘建勇, 周潘旺, 徐大力. 一种模块化飞秒时间分辨瞬态吸收和荧光亏蚀二合一光谱仪. 中国: CN104422519A, 2015-03-18.

[5] 徐大力, 韩克利, 刘建勇, 杨阳, 刘本康, 王艳秋. 纳秒时间分辨的吸收和发射光谱测量装置和测量方法. 中国: CN104062269A, 2014-09-24.

[6] 杨阳, 韩克利, 刘建勇, 徐大力. 一种载体表面光敏化制备金属纳米材料的装置及方法. 中国: CN104060242A, 2014-09-24.

   

[1] Guan, Peng, Han, Peigeng, Yang, Bin, Yin, Hang, Liu, Jianyong, Yang, Songqiu. Rational design of 2D/2D ZnIn2S4/C3N4 heterojunction photocatalysts for enhanced photocatalytic H-2 production. NEW JOURNAL OF CHEMISTRY. 2023, 第 5 作者http://dx.doi.org/10.1039/d2nj06217h.
[2] Xuan, Hua, Huang, Xindi, Shang, Fangjian, He, Haixiang, Liu, Jianyong. Theoretical insights into the synthesis reaction mechanism of HMX based on TAT nitration reaction. CHEMICAL PHYSICS LETTERS[J]. 2023, 第 5 作者820: http://dx.doi.org/10.1016/j.cplett.2023.140448.
[3] Hou, Jie, Liu, Runze, Han, Peigeng, Luo, Cheng, Ding, Zhiling, Zhou, Wei, Li, Cheng, Li, Juntao, Zhao, Yang, Chen, Junsheng, Liu, Jianyong, Yang, Bin. Unveiling the Localized Exciton-Based Photoluminescence of Manganese Doped Cesium Zinc Halide Nanocrystals. NANO LETTERS[J]. 2023, 第 11 作者23(9): 3762-3768, http://dx.doi.org/10.1021/acs.nanolett.2c05101.
[4] Wang, Sijia, Liu, Runze, Li, Juntao, Sun, Fengke, Yang, Qing, Li, Shunshun, Liu, Jianyong, Chen, Junsheng, Cheng, Pengfei. Achieving Highly Efficient Warm-White Light Emission in All-Inorganic Copper-Silver Halides via Structural Regulation. Advanced Science[J]. 2023, 第 7 作者10(28): http://dx.doi.org/10.1002/advs.202303501.
[5] Guan, Peng, Yin, Hang, Han, Peigeng, Liu, Jianyong, Yang, Songqiu. Hydrochloric-acid-induced hydrothermally pretreated ultrathin C3N4 nanosheets for efficient photocatalytic H-2 evolution. JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY[J]. 2023, 第 4 作者98(8): 1964-1974, http://dx.doi.org/10.1002/jctb.7414.
[6] Peng Guan, Bin Yang, Jianyong Liu, Hang Yin, Jutao Jiang, Laizhi Sui, Songqiu Yang. Synthesis of novel rare-earth cerium doped C3N4 nanocomposites for boosting photocatalytic H2 evolution. CHEMICAL PHYSICS LETTERS[J]. 2023, 第 3 作者811: http://dx.doi.org/10.1016/j.cplett.2022.140222.
[7] Zhao, Wenyuan, Zhang, Ruiling, Zheng, Daoyuan, Wang, Sijia, Liu, Siping, Li, Juntao, Guo, Jingwei, Liu, Jianyong, Yang, Songqiu. Intramolecular triplet energy transfer in two-dimensional hybrid perovskite nanosheets. CHEMICAL PHYSICS LETTERS[J]. 2021, 第 8 作者785: http://dx.doi.org/10.1016/j.cplett.2021.139132.
[8] Shang, Fangjian, Liu, Jianyong, Zhou, Panwang, Zhang, Chaoyang. Theoretical insights into the synthesis reaction mechanism of 1,2,3-triazole based on sakai reaction. TETRAHEDRON[J]. 2021, 第 2 作者  通讯作者  77: http://dx.doi.org/10.1016/j.tet.2020.131737.
[9] Shang, Fangjian, Liu, Runze, Liu, Jianyong, Zhou, Panwang, Zhang, Chaoyang, Yin, Shuhui, Han, Keli. Unraveling the Mechanism of cyclo-N-5(-) Production through Selective C-N Bond Cleavage of Arylpentazole with Ferrous Bisglycinate and m-Chloroperbenzonic Acid: A Theoretical Perspective. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2020, 第 3 作者  通讯作者  11(3): 1030-1037, https://www.webofscience.com/wos/woscc/full-record/WOS:000512223400065.
[10] Qi, Yutai, Wang, Yi, Tang, Zhe, Liu, Jianyong, Hou, Yingmin, Gao, Ziqing, Tian, Jing, Fei, Xu. Theoretical study on the ESIPT of fluorescent probe molecules N-(2-(4-(dimethylamino)phenyl)-3-hydroxy-4-oxo-4h-chromen-6-yl) butyramide in different solvents. JOURNAL OF MOLECULAR LIQUIDS[J]. 2020, 第 4 作者314: http://dx.doi.org/10.1016/j.molliq.2020.113614.
[11] Tang, Zhe, Li, Peng, Liu, Jianyong, Zhou, Panwang. Carbonyl Stretch as a Franck-Condon Active Mode and Driving Force for Excited-State Decay of 8-Methoxy-4-methyl-2H-benzogchromen-2-one from n pi* State. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2020, 第 3 作者124(50): 11472-11480, http://dx.doi.org/10.1021/acs.jpcb.0c08207.
[12] Ma, Yinhua, Feng, Liqiang, Liu, Jianyong, Yang, Yanqiang, Chu, Tianshu. DFT/TDDFT investigation on the D-pi-A type molecule probes 4-(5-R-thiophen-2-yl)-2-isobutyl-2H-1,2,3triazolo4,5-e1,2,4 triazolo1,5-apyrimidines: fluorescence sensing mechanism and roles of weak interactions. THEORETICAL CHEMISTRY ACCOUNTS[J]. 2020, 第 3 作者139(1): http://dx.doi.org/10.1007/s00214-019-2520-4.
[13] Lu, Meiheng, Zhou, Panwang, Yang, Yanqiang, Liu, Jianyong, Jin, Bing, Han, Keli. Thermochemistry and Initial Decomposition Pathways of Triazole Energetic Materials. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2020, 第 4 作者  通讯作者  124(15): 2951-2960, http://dx.doi.org/10.1021/acs.jpca.9b11852.
[14] Qi, Yutai, Tang, Zhe, Zhan, Hongbin, Wang, Yi, Zhao, Yanliang, Fei, Xu, Tian, Jing, Yu, Ling, Liu, Jianyong. A new interpretation of the ESIPT mechanism of 2-(benzimidazol-2-yl)-3-hydroxychromone derivatives. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2020, 第 9 作者  通讯作者  224: http://dx.doi.org/10.1016/j.saa.2019.117359.
[15] Zhao, Li, Liu, Jianyong, Zhou, Panwang. Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways?. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2019, 第 2 作者211: 203-211, http://www.corc.org.cn/handle/1471x/2372798.
[16] Qi, Yutai, Lu, Meiheng, Wang, Yi, Tang, Zhe, Gao, Ziqing, Tian, Jing, Fei, Xu, Li, Yao, Liu, Jianyong. A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties. ORGANIC CHEMISTRY FRONTIERS[J]. 2019, 第 9 作者  通讯作者  6(17): 3136-3143, 
[17] Ren, Guanghua, Liu, Runze, Zhou, Panwang, Zhang, Chaoyang, Liu, Jianyong, Han, Keli. Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-N-5 production. CHEMICAL COMMUNICATIONS[J]. 2019, 第 5 作者  通讯作者  55(18): 2628-2631, http://cas-ir.dicp.ac.cn/handle/321008/165972.
[18] Liu, Runze, Ma, Yinhua, Liu, Jianyong, Yang, Yanqiang, Chu, Tianshu. New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2019, 第 3 作者213: 309-317, http://dx.doi.org/10.1016/j.saa.2019.01.077.
[19] Lu, Meiheng, Zhang, Xuexiang, Zhou, Panwang, Tang, Zhe, Qiao, Yan, Yang, Yanqiang, Liu, Jianyong. Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP. CHEMICAL PHYSICS LETTERS[J]. 2019, 第 7 作者  通讯作者  725: 45-51, http://cas-ir.dicp.ac.cn/handle/321008/165508.
[20] Ma, Yinhua, Zhao, Li, Li, Yang, Liu, Jianyong, Yang, Yanqiang, Chu, Tianshu. Investigation on sensing mechanism of a fluorescent probe for TNP detection in aqueous solution. TETRAHEDRON[J]. 2018, 第 4 作者74(21): 2684-2691, http://dx.doi.org/10.1016/j.tet.2018.04.034.
[21] Peng, Yajing, Sun, Shuang, Ye, Yuqing, Liu, Jianyong. Reaction mechanisms of 3-amino-4-nitro-furoxan formation by 3-amide-4-nitro-furoxan and sodium hypochlorite in water and benzene solvents. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2018, 第 4 作者  通讯作者  1125: 69-76, http://cas-ir.dicp.ac.cn/handle/321008/168698.
[22] Yinhua Ma, Jinfeng Zhao, Jianyong Liu, Yanqiang Yang, Tianshu Chu. A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diyl)dibenzoic acid. JOURNAL OF PHOTOCHEMISTRY & PHOTOBIOLOGY, A: CHEMISTRY. 2018, 第 3 作者367: 282-289, http://dx.doi.org/10.1016/j.jphotochem.2018.08.047.
[23] Yuan, Jiuchuang, Duan, Zhixin, Wang, Shufen, Liu, Jianyong, Han, Keli. Significant effects of vibrational excitation of reactant in K + H-2 H + KH reaction based on a new neural network potential energy surface. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 第 4 作者20(31): 20641-20649, https://www.webofscience.com/wos/woscc/full-record/WOS:000442270800032.
[24] Zhao, Li, Liu, Jianyong, Zhou, Panwang. The photoinduced isomerization mechanism of the 2-(1(methylimino)methyl)-6-chlorophenol (SMAC): Nonadiabatic surface hopping dynamics simulations. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 2 作者149(3): http://dx.doi.org/10.1063/1.5034379.
[25] Ma, Yinhua, Zhao, Jinfeng, Liu, Jianyong, Yang, Yanqiang, Chu, Tianshu. A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY[J]. 2018, 第 3 作者367: 282-289, http://cas-ir.dicp.ac.cn/handle/321008/166474.
[26] Lu, Meiheng, Zhou, Panwang, Li, Zhongwei, Liu, Jianyong, Yang, Yandiang, Han, Keli. New insights into the sensing mechanism of a phosphonate pyrene chemosensor for TNT. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 第 4 作者20(29): 19539-19545, http://cas-ir.dicp.ac.cn/handle/321008/166936.
[27] Zhao, Li, Liu, Jianyong, Zhou, Panwang. Effect of Methylation on the Photodynamical Behavior of Arylazoimidazoles: New Insight from Theoretical ab Initio Potential Energy Calculations and Molecular Dynamics Simulations. JOURNALOFPHYSICALCHEMISTRYA[J]. 2017, 第 2 作者121(1): 141-150, http://cas-ir.dicp.ac.cn/handle/321008/151881.
[28] Guo, Jin, Zhang, Ai Jie, Zhou, Yong, Liu, Jian Yong, Jia, Jian Feng, Wu, Hai Shun. A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction. CHEMICALPHYSICSLETTERS[J]. 2017, 第 4 作者689: 121-127, http://cas-ir.dicp.ac.cn/handle/321008/149789.
[29] Zhao, Li, Liu, JianYong, Zhou, PanWang. On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2017, 第 2 作者186: 52-58, http://dx.doi.org/10.1016/j.saa.2017.06.005.
[30] Zhao Li, Liu Jianyong, Zhou Panwang. Effect of Methylation on the Photodynamical Behavior of Arylazoimidazoles: New Insight from Theoretical ab Initio Potential Energy Calculations and Molecular Dynamics Simulations. THE JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2017, 第 2 作者https://www.webofscience.com/wos/woscc/full-record/WOS:000392035800016.
[31] Peng, Yajing, Ye, Yuqing, Liu, Jianyong, Lai, Weipeng. Formation mechanisms of 3,4-dinitrofuroxan via nitration reaction of furoxan. CHEMICALPHYSICSLETTERS[J]. 2016, 第 3 作者  通讯作者  647: 85-88, http://cas-ir.dicp.ac.cn/handle/321008/171076.
[32] Zhao, Li, Liu, Jianyong, Zhou, Panwang. New Insight into the Photoisomerization Process of the Salicylidene Methylamine under Vacuum. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2016, 第 2 作者120(38): 7419-7426, http://cas-ir.dicp.ac.cn/handle/321008/170002.
[33] Ho, PoYu, Siu, ChiHo, Yu, WaiHong, Zhou, Panwang, Chen, Tao, Ho, CheukLam, Lee, Lawrence Tien Lin, Feng, YingHsuan, Liu, Jianyong, Han, Keli, Lo, Yih Hsing, Wong, WaiYeung. Molecular engineering of starburst triarylamine donor with selenophene containing pi-linker for dye-sensitized solar cells. JOURNAL OF MATERIALS CHEMISTRY C[J]. 2016, 第 9 作者4(4): 713-726, http://dx.doi.org/10.1039/c5tc03308j.
[34] Peng, YaJing, Jiang, YanXue, Peng, Xie, Liu, JianYong, Lai, WeiPeng. Reaction Mechanism of 3,4-Dinitrofuroxan Formation from Glyoxime: Dehydrogenation and Cyclization of Oxime. CHEMPHYSCHEM[J]. 2016, 第 4 作者  通讯作者  17(4): 541-547, http://cas-ir.dicp.ac.cn/handle/321008/171270.
[35] Siu, ChiHo, Lee, Lawrence Tien Lin, Yiu, SzeChun, Ho, PoYu, Zhou, Panwang, Ho, CheukLam, Chen, Tao, Liu, Jianyong, Han, Keli, Wong, WaiYeung. Synthesis and Characterization of Phenothiazine-Based Platinum(II)-Acetylide Photosensitizers for Efficient Dye-Sensitized Solar Cells. CHEMISTRY-A EUROPEAN JOURNAL[J]. 2016, 第 8 作者22(11): 3750-3757, http://cas-ir.dicp.ac.cn/handle/321008/171078.
[36] Jianyong Liu. New Excited-State Proton Transfer Mechanisms for the 1,8-dihydroxydibenzo [a,h] phenazine. Journal of Physical Chemistry A. 2015, 第 1 作者  通讯作者  
[37] Gao Aihua, Zhang Peiyu, meiyu zhao, Liu Jianyong. Photoisomerization mechanism of 1,10-dimethyl-2,20-pyridocyanine in the gas phase and in solution. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2015, 第 4 作者136: 1157, http://cas-ir.dicp.ac.cn/handle/321008/147979.
[38] Jianyong Liu. Competitive excited-state single or double proton transfer mechanism for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives. Phys. Chem. Chem. Phys.. 2015, 第 1 作者  通讯作者  
[39] Zhao, Jinfeng, Chen, Junsheng, Liu, Jianyong, Hoffmann, Mark R. Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 第 3 作者  通讯作者  17(18): 11990-11999, http://cas-ir.dicp.ac.cn/handle/321008/146214.
[40] Zhao, Jinfeng, Yao, Hongbin, Liu, Jianyong, Hoffmann, Mark R. New Excited-State Proton Transfer Mechanisms for 1,8Dihydroxydibenzoa,hphenazine. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2015, 第 3 作者  通讯作者  119(4): 681-688, http://cas-ir.dicp.ac.cn/handle/321008/145998.
[41] Zhao, Jinfeng, Chen, Junsheng, Song, Peng, Liu, Jianyong, Ma, Fengcai. The Charge Transfer Phenomenon in Benzene-Pyrene-Sulfoxide/Methanol System: Role of the Intermolecular Hydrogen Bond in Excited States. JOURNAL OF CLUSTER SCIENCE[J]. 2015, 第 4 作者  通讯作者  26(5): 1463-1472, http://cas-ir.dicp.ac.cn/handle/321008/146490.
[42] Yang, Yang, Chen, JunSheng, Liu, JianYong, Zhao, GuangJiu, Liu, Lei, Han, KeLi, Cook, Timothy R, Stang, Peter J. Photophysical Properties of a Post-Self-Assembly Host/Guest Coordination Cage: Visible Light Driven Core-to-Cage Charge Transfer. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2015, 第 3 作者6(10): 1942-1947, http://cas-ir.dicp.ac.cn/handle/321008/146266.
[43] Gao, Aihua, Zhang, Peiyu, Zhao, Meiyu, Liu, Jianyong. Photoisomerization mechanism of 1,1 '-dimethyl-2,2 '-pyridocyanine in the gas phase and in solution. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY[J]. 2015, 第 4 作者  通讯作者  136(Pt.B): 1157-1166, http://dx.doi.org/10.1016/j.saa.2014.10.001.
[44] Zhou, Panwang, Liu, Jianyong, Han, Keli, He, Guozhong. The Photoisomerization of 11-cis-Retinal Protonated Schiff Base in Gas Phase: Insight from Spin-Flip Density Functional Theory. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2014, 第 2 作者35(2): 109-120, http://cas-ir.dicp.ac.cn/handle/321008/144226.
[45] YaochuanWang, ShuhuiYin, 刘建勇, LiYao, GuiqiuWang, DajunLiu, BoJing, LihongCheng, HaiyangZhong, XiaorongShi, QiangFang, ShixiongQian. Probing ultrafast excited state dynamics and nonlinear absorption properties of three starshaped conjugated oligomers with 1;3;5-triazine. RSC ADVANCES[J]. 2014, 第 3 作者4(1): 10960, http://cas-ir.dicp.ac.cn/handle/321008/144037.
[46] Gao, AiHua, Li, Bin, Zhang, PeiYu, Liu, Jianyong. Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2014, 第 4 作者  通讯作者  1031(1): 13-21, http://dx.doi.org/10.1016/j.comptc.2013.12.029.
[47] 高爱华, 黎斌, 张佩宇, 刘建勇. Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2014, 第 4 作者1031(1): 13, http://cas-ir.dicp.ac.cn/handle/321008/144180.
[48] Fan, GuoHong, Li, Xing, Liu, JianYong, He, GuoZhong. Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2014, 第 3 作者  通讯作者  1030(1): 17-24, http://dx.doi.org/10.1016/j.comptc.2013.12.010.
[49] Wang, Yaochuan, Yin, Shuhui, Liu, Jianyong, Yao, Li, Wang, Guiqiu, Liu, Dajun, Jing, Bo, Cheng, Lihong, Zhong, Haiyang, Shi, Xiaorong, Fang, Qiang, Qian, Shixiong. Probing ultrafast excited state dynamics and nonlinear absorption properties of three star-shaped conjugated oligomers with 1,3,5-triazine core. RSC ADVANCES[J]. 2014, 第 3 作者4(21): 10960-10967, http://cas-ir.dicp.ac.cn/handle/321008/145809.
[50] Pang, Xueqin, Liu, Jianyong. GPCR A(2A)AR Agonist Binding and Induced Conformation Changes of Functional Switches. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 2 作者  通讯作者  27(1): 29-38, http://cas-ir.dicp.ac.cn/handle/321008/144039.
[51] Fan, Guohong, Liu, Jianyong, He, Guozhong. Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method. COMPUTATIONAL AND THEORETICAL CHEMISTRY[J]. 2013, 第 2 作者  通讯作者  1023: 10-18, http://dx.doi.org/10.1016/j.comptc.2013.08.018.
[52] Yang, Yang, Liu, Lei, Yin, Hongming, Xu, Dali, Liu, Guangye, Song, Xiancheng, Liu, Jianyong. White Light Assisted Photosensitized Synthesis of Ag Nanoparticles: Excited-State Hydrogen Bonding Roles. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2013, 第 7 作者117(22): 11858-11865, http://www.irgrid.ac.cn/handle/1471x/858330.
[53] Zhou, Panwang, Liu, Jianyong, Yang, Songqiu, Chen, Junsheng, Han, Keli, He, Guozhong. The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2012, 第 2 作者14(43): 15191-15198, http://www.irgrid.ac.cn/handle/1471x/721742.
[54] Jindou Huang, ShuhaoWen, Jianyong Liu, Guozhong He. Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity. 天然气化学杂志：英文版[J]. 2012, 第 3 作者21(3): 302-307, http://lib.cqvip.com/Qikan/Article/Detail?id=42212686.
[55] Yang, Songqiu, Liu, Jianyong, Zhou, Panwang, Chen, Junsheng, Han, Keli, He, Guozhong. Mechanisms of ultrafast fluorescence depletion spectroscopy and applications to measure slovation dynamics of coummarin 153 in methanol. JOURNAL OF LUMINESCENCE[J]. 2012, 第 2 作者132(9): 2275-2280, http://dx.doi.org/10.1016/j.jlumin.2012.03.062.
[56] Huang, JinDou, Liu, Jian Yong, Han, KeLi. Hybrid functionals studies of structural and electronic properties of ZnxCd((1-x))S and (ZnxCd1-x)(SexS1-x) solid solution photocatalysts. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY[J]. 2012, 第 2 作者37(23): 17870-17881, http://dx.doi.org/10.1016/j.ijhydene.2012.09.003.
[57] Huang, Jindou, Wen, Shuhao, Liu, Jianyong, He, Guozhong. Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity. JOURNAL OF NATURAL GAS CHEMISTRY[J]. 2012, 第 3 作者  通讯作者  21(3): 302-307, http://dx.doi.org/10.1016/S1003-9953(11)60368-X.
[58] 李冬梅, 刘建勇. 细胞色素P450催化4-氯-N-环丙基-N-异丙基苯胺Ca-H羟基化反应机理的理论研究. 催化学报[J]. 2011, 第 2 作者32(7): 1208-1213,  http://dx.doi.org/10.3724/SP.J.1088.2011.10303.
[59] Yang, Songqiu, Liu, Jianyong, Zhou, Panwang, Han, Keli, He, Guozhong. Photo-induced intramolecular charge transfer from antenna to anchor groups in phenoxazine dyes. CHEMICAL PHYSICS LETTERS[J]. 2011, 第 2 作者512(1-3): 66-69, http://dx.doi.org/10.1016/j.cplett.2011.06.088.
[60] Liu, YuHui, Mehata, Mohan Singh, Liu, JianYong. Excited-State Proton Transfer via Hydrogen-Bonded Acetic Acid (AcOH) Wire for 6-Hydroxyquinoline. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2011, 第 3 作者  通讯作者  115(1): 19-24, http://www.irgrid.ac.cn/handle/1471x/456544.
[61] Hou Chunyuan, Chen Xiaofang, Liu Jianyong, Wang Bozhou. A Density Functional Theory Study of the Synthesis of 5-Chloro-benzofuroxan from 5-Chloro-2-nitroaniline. ACTA CHIMICA SINICA[J]. 2011, 第 3 作者69(9): 1065-1069, http://159.226.238.44/handle/321008/142564.
[62] Song Peng, Sun Shiguo, Zhou Panwang, Liu Jianyong, Xu Yongqian, Peng Xiaojun. Terpyridine-derived Zn2+ Selective Fluorescence Sensor: Ratiometric Fluoroionophoric Behavior Study. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES[J]. 2011, 第 4 作者  通讯作者  27(1): 127-131, http://lib.cqvip.com/Qikan/Article/Detail?id=36886102.
[63] 侯春园, 陈晓芳, 刘建勇, 王伯周. 5-氯-2．硝基苯胺合成5-氯-苯并氧化呋咱反应的密度泛函研究. 化学学报[J]. 2011, 第 3 作者69(9): 1065-1069, http://lib.cqvip.com/Qikan/Article/Detail?id=37921272.
[64] 李冬梅, 刘建勇. 细胞色素P450催化4-氯-N-环丙基-N-异丙基苯胺Cα–H羟基化反应机理的理论研究. 催化学报[J]. 2011, 第 2 作者32(7): 1208-1213, http://lib.cqvip.com/Qikan/Article/Detail?id=38597683.
[65] Yang, Kun, Chen, XiaoFang, Liu, JianYong, Lai, WeiPeng, Wang, BoZhou. Nitrosation of malononitrile by HONO, ClNO and N2O3: A theoretical study. JOURNAL OF MOLECULAR MODELING[J]. 2011, 第 3 作者  通讯作者  17(5): 1017-1027, http://dx.doi.org/10.1007/s00894-010-0799-0.
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[67] Dong, Jingfeng, Wang, Mei, Zhang, Pan, Yang, Songqiu, Liu, Jianyong, Li, Xueqiang, Sun, Licheng. Promoting Effect of Electrostatic Interaction between a Cobalt Catalyst and a Xanthene Dye on Visible-Light-Driven Electron Transfer and Hydrogen Production. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2011, 第 5 作者115(30): 15089-15096, http://dx.doi.org/10.1021/jp2040778.
[68] Li Dongmei, Liu Jianyong. Theoretical Study of C-alpha-H Hydroxylation of 4-Chloro-N-cyclopropyl-N-isopropylaniline Catalyzed by Cytochrome P450. CHINESE JOURNAL OF CATALYSIS[J]. 2011, 第 2 作者  通讯作者  32(7): 1208-1213, http://dx.doi.org/10.3724/SP.J.1088.2011.10303.
[69] Yang, Songqiu, Liu, Jianyong, Zhou, Panwang, He, Guozhong. Solvent Effects on 3-Keto-1H-pyrido3,2,1-klphenothiazine Fluorescence in Polar and Protic Solvents. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2011, 第 2 作者115(36): 10692-10698, http://www.irgrid.ac.cn/handle/1471x/456743.
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[78] 温书豪, 侯柱锋, 刘建勇, 何国钟. 钼硫碘纳米线结构特性和化学改性的理论研究. 催化学报[J]. 2010, 第 3 作者31(7): 739-746, http://lib.cqvip.com/Qikan/Article/Detail?id=34683847.
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[81] Guo Yahui, He Haixiang, Liu Jianyong, He Guozhong. Enhancement and extension of high – order harmonic emission and an isolated sub-100 as pulse generation from two-color laser fields. JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY[J]. 2010, 第 3 作者9(4): 735-744, http://159.226.238.44/handle/321008/103307.
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[83] Liu, Zhenfeng, Liu, Jianyong. DFT investigation on mechanism of dirhodium tetracarboxylate-catalyzed O-H insertion of diazo compounds with H2O. CENTRAL EUROPEAN JOURNAL OF CHEMISTRY[J]. 2010, 第 2 作者8(1): 223-228, http://dx.doi.org/10.2478/s11532-009-0118-8.
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[88] Guo, YaHui, He, HaiXiang, Liu, JianYong, He, GuoZhong. Sensitivity of high-order harmonic generation to nuclear motion. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM[J]. 2010, 第 3 作者  通讯作者  947(1-3): 119-122, http://dx.doi.org/10.1016/j.theochem.2010.02.004.
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[90] 侯春园, 陈晓芳, 刘建勇, 来蔚鹏, 王伯周. 2-硝基苯胺合成苯并氧化呋咱反应的密度泛函研究. 化学物理学报[J]. 2010, 第 3 作者387-392, http://lib.cqvip.com/Qikan/Article/Detail?id=35068189.
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[93] 周潘旺, 宋朋, 刘建勇, 韩克利, 何国钟. Experimental and theoretical study of the rotational reorientation dynamics of -animocoumarin derivatives in polar solvents: hydrogen-bonding effects. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2009, 第 3 作者11: 9440-9449, http://159.226.238.44/handle/321008/102023.
[94] Zhou, Panwang, Song, Peng, Liu, Jianyong, Han, Keli, He, Guozhong. Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin derivatives in polar solvents: hydrogen-bonding effects. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2009, 第 3 作者11(41): 9440-9449, http://dx.doi.org/10.1039/b910043a.
[95] Chai, Shuo, Zhao, GuangJiu, Song, Peng, Yang, SongQiu, Liu, JianYong, Han, KeLi. Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2009, 第 5 作者11(21): 4385-4390, http://159.226.238.44/handle/321008/102021.
[96] GuoXunMin, WanYan, XiaAnDong, WangSuFan, LiuJianYong, HanKeLi. Rapid internal conversion in a symmetric molecule LD 700 studied by means of femtosecond fluorescence depletion. Chinese Physics B[J]. 2009, 第 5 作者18(1): 142-148, https://cpb.iphy.ac.cn/EN/10.1088/1674-1056/18/1/022.
[97] Zhou, Panwang, Liu, Jianyong, Song, Peng, Han, Keli, He, Guozhong. Rotational reorientation dynamics of Rhodamine 700 in different excited states. JOURNAL OF LUMINESCENCE[J]. 2009, 第 2 作者129(3): 283-289, http://dx.doi.org/10.1016/j.jlumin.2008.10.002.
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（ 1 ） 螺吡喃分子光致变色机理的实验与理论研究, 主持, 国家级, 2015-01--2018-12
（ 2 ） 大功率激光焊接羽辉形成机制及其对能量传输的影响, 主持, 国家级, 2016-07--2020-06
（ 3 ） 含能材料起爆“热点”中的分子反应动力学理论研究, 主持, 国家级, 2021-01--2024-12

（1）生物天然防晒分子核-壳结构有机金属超分子的激发态动力学   第十九届全国原子与分子物理学术会议   2017-08-07

已指导学生

臧凯璐  博士研究生  070304-物理化学  

吕美横  博士研究生  070304-物理化学  

李杨  博士研究生  070304-物理化学  

程鹏飞  博士研究生  070304-物理化学  

张瑞玲  博士研究生  070304-物理化学  

赵西  博士研究生  070304-物理化学  

张萌萌  博士研究生  070304-物理化学  

尚方剑  博士研究生  070304-物理化学  

赵文远  博士研究生  070304-物理化学  

韩沛耿  博士研究生  070203-原子与分子物理