张辉 教授，博士生导师，校级学科带头人，校优秀拔尖人才，黑龙江省杰出青年基金获得者
电话：0451-86390788
学习经历：
1986.09—1990.07 哈尔滨师范大学，生物学专业，理学学士
1999.11—2002.05 哈尔滨理工大学，材料物理与化学专业
2002.09—2005.07 吉林大学，物理化学专业，理学博士
2008/03－2009/03北京生命科学研究所，黄牛博士实验室，访问学者
主要社会兼职 ：
黑龙江省化学会理事
黑龙江省分析测试学会理事
研究兴趣 ：
理论和计算化学，包括势能面、反应动力学、热化学计算、生物酶促反应、抗氧化机理、绝缘材料稳压机理、水合物形成机理等。
科研获奖：
1、大豆油脚综合利用技术工业化生产中间试验，哈尔滨市科学技术奖（进步类），三等奖，2001，5/10
2、大豆油脚综合利用技术，黑龙江省科学技术奖（进步类），三等奖， 2002，5/12
3、生物法活性腐植酸复合肥生产工艺研究，黑龙江省科学技术奖（进步类），二等奖，2007，2/9
4、氟聚合物改性丙烯酸酯水性纳米涂料的研究与应用，黑龙江省科学技术奖（进步类），二等奖，2008，7/9
5、以动植物甾醇为原料生产甾体药物工艺研究，黑龙江省科学技术奖（进步类），三等奖，2009，1/9
6、几类重要的小分子及大分子的结构与性能研究，黑龙江省科学技术奖（自然科学类），三等奖，2010，1/4
7、σ-共轭、π-共轭及σ-π共轭体系光电的结构与性能关系研究，黑龙江省科学技术奖（自然科学类），二等奖，2013，2/6
8、聚乙烯基绝缘材料电子输运机理及超净体系设计，黑龙江省科学技术奖（自然科学类），二等奖，2020，1/5
科研项目：
1、腐植酸植物生长促进剂及复合肥生产工艺研究（8万元）省重点科技攻关项目，G98B
2、以动植物甾醇为原料生产甾体药物工艺研究（6万元）省攻关项目，G
3、甾体药物中间体ADD工业化生产新工艺（2.4万元）市青年基金项目，0061218041，2001-2003，1/5，已鉴定 国内领先
4、手性合成的高立体选择性1,3－偶极环加成反应研究（1.5万元）省自然科学基金项目，B00-09，2003-2006，1/5，已验收
5、金属催化的高立体选择性1,3－偶极环加成反应研究（21万元）国家自然科学基金项目，20272011，2003-2005，3/11，已结题
6、新型无磷洗衣粉助剂—玉米淀粉氧化物中间试验（10万元）省攻关项目，GC
7、亚麻织物全无氯漂白工艺研究（200万元）国家863计划引导项目，0111211096，2004-2007，4/12，已验收
8、新型聚羧酸盐洗涤助剂工业化生产技术研究（15万元）省教育厅重大科技项目，2005-2007，3/12，已验收
9、与大气污染相关的小分子自由基反应机理的理论研究（6万元）省教育厅骨干教师计划项目，
10、大气化学中氯代丙酮与自由基反应机理的研究（5万元）省人事厅博士后落户黑龙江省科研启动资金项目，LBH-Q07058，2007-2008，1/8，已结题
11、导电高分子材料的结构与性能关系研究（4万元）省自然科学基金项目，B200605，2007-2009，2/6，已结题
12、导电高分子材料的结构与性能关系的理论研究（9万元）国家自然科学主任基金项目，2007-2008，2/7，已结题
13、导电高分子材料的合成及构效关系的研究（6万元）哈尔滨市优秀学科带头人基金，2007RFXXG027，2007-2008，2/7，已结题
14、查尔酮合成酶、白藜芦醇合成酶反应机理的理论研究（32万元）国家自然科学基金项目，20973049，2009-2012，合作单位负责人，已验收
15、松花江流域水生态功能一、二级分区研究（9万元）国家水污染与控制专项，2009-2010，合作单位负责人，已结题
16、查尔酮异构酶反应机理的理论研究（3万元）黑龙江省教育厅科研项目，11551077，2010-2011，1/5，已结题
17、垃圾焚烧过程中二噁英降解机理研究（7万元），哈尔滨市优秀学科带头人基金，2011RFJGS026，2011-2012，1/7，已结题
18、垃圾焚烧过程中PCDDs开环反应机理的理论研究（12万元），教育部博士点专项科研基金，20112303110005，2011-2013，1/5，已验收
19、垃圾焚烧过程中PCBs降解及去除机理研究（40万元），黑龙江省杰出青年基金，JC201206，2012-2013，1/5，已验收
20、交联聚乙烯绝缘材料直流介电性能改善及其机理研究（325万元），国家自然科学基金重点项目，51337002，2014-2019，4/9，已结题
21、高压电缆接头绝缘包带耐电强度提升技术研究（12万元），横向课题，4201/431050114，2019-2022，在研
22、在宽温区提升聚乙烯材料绝缘性能的方法与机理研究（260万元），国家自然科学基金联合基金重点项目，U20A200815，2021-2024，2/9，在研
发表论文：
1、H. Zhang*, Z. S. Li*, J. Y. Liu, L. Sheng, C. C. Sun, Ab initio direct dynamics studies of the hydrogen abstraction on the reaction of Cl with CHBrF2, Journal of Molecular Structure (Theochem)2004, 674, 23–27.(SCI, 1.007)
2、H. Zhang, J. Y. Liu, Z. S. Li*, L. Sheng, J. Y. Wu, C. C. Sun, Ab Initio Direct Dynamics Studies on the Reaction Br + SiH4, Chemical Physics Letters 2005, 405, 240-245.(SCI, 2.438)
3、H. Zhang, Z. S. Li*, J. Y. Wu, J. Y. Liu, L. Sheng, C. C. Sun, Dual-level Direct Dynamics Studies on the Reactions of OH radicals with SiH3CH3 and SiH4, Chemical Physics Letters 2005, 409, 355-361.(SCI, 2.438)
4、H. Zhang, J. Y. Wu, Z. S. Li*, J. Y. Liu, L. Sheng, C. C. Sun, Theoretical Studies on the Reaction OH + CH3SiH2CH3, Journal of Molecular Structure: THEOCHEM 2005, 728, 25-29.(SCI, 1.045)
5、H. Zhang, J. Y. Wu, Z. S. Li*, J. Y. Liu, L. Sheng, C. C. Sun, Dual-level Direct Dynamics Studies on the Reaction Cl + CHBr2Cl, Journal of Computational Chemistry 2005, 26, 1421-1426.(SCI, 3.786)
6、H. Zhang, B. Liu*, L. Wang, Z. S. Li, J. Y. Liu, X. Y. Yu, C. C. Sun, Ab Initio Direct Dynamic Studies on the Reaction Br atoms with CH3Br, Chemical Physics Letters 2006, 420, 12-17.(SCI, 2.438)
7、H. Zhang, J. Y. Wu, Z. S. Li*, J. Y. Liu, C. C. Sun, Theoretical Studies on the Cl + CH3S(O)CH3 Reaction, Chemical Physics 2006, 324, 291-297. (SCI, 1.984)
8、H. Zhang*, B. Liu*, L. Wang, X. Y. Yu, Z. S. Li, J. Y. Liu, C. C. Sun, Theoretical Study on the Reaction Br + CH2BrCl, Chemical Physics 2006, 325, 531-537.(SCI, 1.984)
9、H. Zhang, G. L. Zhang, L. Wang, B. Liu*, X. Y. Yu, Z. S. Li, Theoretical Studies on the Reactions X + CHBrF2 (X = F, Br), Chemical Physics Letters 2006, 432, 6-10.(SCI, 2.462)
10、H. Yang, Y. Liu, H. Zhang, Z. S. Li,Polymer 2006, 47, 7607-7610. (SCI, 3.828)
11、G. L. Zhang, H. Zhang, M. Sun, Y. H. Liu, X. H. Pang, X. Y. Yu, B. Liu*, Z. S. Li, Substitution Effect on the Geometry and Electronic Structure of the Ferrocene, Journal Computational Chemistry2007, 28, 2260–2274. (SCI, 4.297)
12、H. Zhang, G. L. Zhang, L. Wang, B. Liu*, X. Y. Yu, Z. S. Li, Theoretical Study on the Br + CH3SCH3 Reaction, Journal of Computational Chemistry 2007, 28, 1153-1159.(SCI, 4.297)
13、H. Zhang, G. L. Zhang, J. Y. Liu, M. Sun, B. Liu*, Z. S. Li, Theoretical Studies on the Reactions Cl + CH3COCCl2X (X = F, Cl, Br), Chemical Physics Letters 2007, 442, 187-193.(SCI, 2.207)
14、H. Zhang, G. L. Zhang, Y. Wang, X. Y. Yu, B. Liu*, J. Y. Liu, Z. S. Li, Theoretical Studies on the Reactions of hydroxyl radicals with Trimethylsilane and Tetramethylsilane, Theoretical Chemistry Accounts 2008, 119, 319-327.(SCI, 2.370)
15、H. Zhang, G. L. Zhang, J. Y. Liu, B. Liu*, X. Y. Yu, Z. S. Li, Theoretical Study on the OH + CH3NHC(O)OCH3 Reaction, Journal of Computational Chemistry 2008, 29, 1170-1176. (SCI, 3.390)
16、H. Zhang, G. L. Zhang, J. Y. Liu, M. Sun, B. Liu*, Z. S. Li, Theoretical Studies on the Reactions of Acetone with Chlorine Atom and Methyl Radical, Theoretical Chemistry Accounts 2008, 119, 445-451.(SCI, 2.370)
17、H. Zhang, G. L. Zhang, J. Y. Liu, S. Miao, B. Liu*, Z. S. Li, Theoretical Study on the Reaction of SiH(CH3)3 with SiH3 radical, Journal of Computational Chemistry 2009, 30, 236-242. (SCI, 3.769)
18、H. Zhang, G. L. Zhang, J. Y. Liu, C. Y. Liu, B. Liu*, Z. S. Li, Theoretical Studies on the Reactions OH + CH3COCCl2X (X = F, Cl, Br), Theoretical Chemistry Accounts 2009, 122, 107-114. (SCI, 2.584)
19、H. Zhang, G. L. Zhang, J. Y. Liu, W. J. Hou, B. Liu, Z. S. Li, Dual-level Direct Dynamics Studies on the Reactions of Tetramethylsilane with Chlorine and Bromine Atoms, Theoretical Chemistry Accounts 2010, 125, 75-82. (SCI, 2.584)
20、H. Zhang, G. L. Zhang, J. Y. Liu, M. Sun, B. Liu*, Z. S. Li, Theoretical Study and Rate Constants Calculation for the Reactions of SiH3 radical with SiH3CH3 and SiH2(CH3)2, Journal of Computational Chemistry 2010, 31, 403-411. (SCI, 3.769)
21、H. Zhang, G. L. Zhang, J. Y. Liu, M. Sun, B. Liu*, Z. S. Li，Theoretical Studies on the Reactions CH3SCH3 with OH, CF3, and CH3 radicals, Journal of Computational Chemistry 2010, 31, 2794-2803. (SCI, 3.769)
22、H. Zhang*, C. Y. Liu, G. L. Zhang, W. J. Hou, M. Sun, B. Liu, Z. S. Li*, Theoretical studies of the reactions Cl atoms with CF3CH2OCHnF(3-n)(n=1,2,3), Theoretical Chemistry Accounts 2010, 127, 551–560. (SCI, 2.584)
23、Y. Zhang, H. Zhang*, J. Y. Liu, X. M. Duan, Z. S. Li*, Theoretical Study on the Reactions of Trimethylsilane with Chlorine and Bromine Atoms, Theoretical Chemistry Accounts 2011, 130, 115–125.(SCI, 2.584)
24、H. Zhang, G. L. Zhang, J. Y. Liu, M. Sun, B. Liu*, Z. S. Li*, Theoretical Studies and Rate Constants Calculation for the Reactions of Acetone with Fluorine and Bromine Atoms, Theoretical Chemistry Accounts 2011, 128, 317-325. (SCI, 2.584)
25、H. Zhang*, Y. Liu, J. Y. Liu, Z. S. Li*, Theoretical Studies and Rate Constants Calculation for the Reactions X + CF3CH2OCF3 (X = F, Cl, Br), Journal of Computational Chemistry 2012, 33, 685-690. (SCI, 4.050)
26、H. Zhang*, Y. Liu, J. Y. Liu, Z. S. Li, Theoretical Studies and Rate Constants Calculation for the Reactions CX3 + SiH(CH3)3 (X = H, F), Journal of Computational Chemistry 2012, 33, 203-210. (SCI, 4.050)
27、J. Ding, Y. Yao, H. Zhang*, Z. S. Li*, Phosphonylation and aging mechanisms of mipafox and butyrylcholinesterase: A theoretical study, Chinese Science Bulletin, 2012, 57, 4453-4461.(SCI, 1.087)
28、H. Zhang, Y. Yao, X. L. Qi, Z. S. Li*, Optimization of CHARMM force field parameters for chalcone fragment, SCIENCE CHINA Chemistry, 2012, 55, 2580-2586. (SCI, 1.345)
29、Y. Li, H. Zhang*, Q. G. Chen*, Z. S. Li*, Theoretical study of the reaction of CH2XO (X = F, Cl, Br) radicals with the NO radical, Journal of Molecular Modeling, 2013, 19, 1391–1397.(SCI, 1.871)
30、H. Zhang*, P. Liu, J. Y. Liu, Z. S. Li*, Theoretical study and rate constant calculations for the reactions of SiHX3 with CF3 and CH3 radicals (X = F, Cl), Journal of Molecular Modeling, 2013, 19, 1515-1525.(SCI, 1.871)
31、张辉*，李玥，赵洪，韩宝忠*，苯乙酮烯醇式互换异构对聚乙烯电树枝老化性能影响的理论研究，东北师大学报（自然科学版），第44卷，第4期，97-100页，2012. (CSCD)
32、H. Zhang*, Y. Shang, H. Zhao, B. Z. Han*, Zesheng Li*, Mechanisms on Inhibition of Polyethylene Electrical Tree Aging: A Theoretical Study, Journal of Molecular Modeling, 2013, 19, 3035-3044. (SCI, 1.984)
33、H. Zhang*, Y. Shang, H. Zhao, B. Z. Han*, Z. S. Li*, Mechanisms on electrical breakdown strength increment of polyethylene by acetophenone and its analogues addition: a theoretical study, Journal of Molecular Modeling, 2013, 19, 4477-4485.(SCI, 1.984)
34、张辉*，李玥，赵洪，韩宝忠*，芳香酮异构化反应影响聚乙烯电击穿强度的理论研究，东北师大学报（自然科学版），第45卷，第3期，101-105页，2013. (CSCD)
35、Y. Yao, H. Zhang*, Z. S. Li*, Stereoselectivity of chalcone isomerase with chalcone derivatives: a computational study, Journal of Molecular Modeling, 2013,19, 4753–4761. (SCI, 1.984)
36、H. Zhang*, Y. Shang, X. Wang, H. Zhao, B. Z. Han*, Z. S. Li*, Mechanisms on Electrical Breakdown Strength Increment of Polyethylene by Aromatic Carbonyl Compounds Addition: A Theoretical Study, Journal of Molecular Modeling, 2013, 19, 5429-5438.(SCI, 1.984)
37、H. Zhang*, H. Zhao, X. Wang, Y. Shang, B. Z. Han*, Z. S. Li*, Theoretical Study on the Mechanism of Polyethylene Electrical Breakdown Strength Increment by the Addition of Voltage Stabilizers, Journal of Molecular Modeling, 2014, 20, 2211-2222.(SCI, 1.984)
38、S. M. Sun, K. Zhang, Y. Lu, A. H. Wang, H. Zhang*, Theoretical Study on the Reaction Mechanism of Carbaryl with OH radicals, Journal of Molecular Modeling, 2014, 20, 2288-2297.(SCI, 1.984)
39、S. M. Sun, K. Zhang, Y. Lu, H. Zhang*, Theoretical study on the reaction mechanism of chlordimeform with OH radicals, Journal of Molecular Modeling, 2014, 20, 2519-2528.(SCI, 1.984)
40、张坤，孙胜敏，张辉*，OH自由基引发的2,3,7,8-四氯代二苯并呋喃降解机理的理论研究，东北师大学报（自然科学版），第46卷，第4期，103-109页，2014. (CSCD)
41、H. Zhang*, K. Zhang, S. M. Sun, Theoretical Study of the Degradation Mechanism on the Reactions 2,3,7,8-Tetrachlorinated Dibenzo-p-Dioxins with Hydrogen and Chlorine Atoms, SCIENCE CHINATechnological Sciences, 2015, 58, 181-188. (SCI, 1.187)
42、H. Zhang, Y. Shang, Q. G. Chen*, B. Z. Han*, Theoretical Studies on Dielectric Breakdown Strength Increasing Mechanism of SF6 and Its Potential Alternative Gases, Chemical Research in Chinese Universities, 2015, 31, 123-129.(SCI, 0.735)
43、S. M. Sun, K. Zhang, H. Zhang*, Theoretical study on the degradation mechanism of carbamate pesticides with OH radicals, Theoretical Chemistry Accounts 2015, 134, 25-34. (SCI, 2.584)
44、H. Zhang*, Y. Shang, H. Zhao, B. Z. Han*, Z. S. Li*, Study of the Effect of Valence Bond Isomerizations on Electrical Breakdown by Adding Acetophenone to Polyethylene as Voltage Stabilizers, Computational and Theoretical Chemistry, 2015, 1062, 99-104.(SCI, 1.139)
45、K. Zhang, S. M. Sun, H. Zhang*, Mechanism and kinetic study on the ring-opening degradation of 2,3,7,8-tetrachlorinated dibenzofuran initiated by OH radicals in waste incineration, RSC Advances, 2015, 5, 81153–81161. (SCI, 3.840)
46、S. M. Sun, K. Zhang, Y. Lu, P. Liu, Hui Zhang*, Theoretical Study on the Degradation Mechanism of Methamidophos and Chloramine Phosphorus with OH Radicals, International Journal of Quantum Chemistry 2015, 115, 1187–1193.
47、Z. D.Yang*, H. Zhang, H. Zhao, B. Z. Han*, Trap mechanism based on frontier molecular orbitals of additives in polyethylene insulators: A theoretical study and molecular design strategy, International Journal of Quantum Chemistry, 2015, 115, 1483-1489. (SCI, 1.432)
48、H. Zhang*, Y. Shang, M. X. Li*, H. Zhao, X. Wang, B. Z. Han*, Theoretical Study on the Radical Reaction Mechanism in the Cross-linking Process of Polyethylene, RSC Advances, 2015, 5, 90343-90353. (SCI, 3.840)
49、Y. Lu, A. H. Wang, P. Shi, H. Zhang*, Zesheng Li, Quantum Chemical Study on the Antioxidation Mechanism of Piceatannol and Isorhapontigenin toward Hydroxyl and Hydroperoxyl Radicals. PloS one, 2015, 10(7), e0133259. (SCI, 3.057)
50、H. Zhang*, Y. Shang, H. Zhao, X. Wang, B. Z. Han*, Z. S. Li, Theoretical Study on the Tailored Side-Chain Architecture of Benzil-like Voltage Stabilizers for Enhanced Dielectric Strength of Cross-Linked Polyethylene, RSC Advances, 2016, 6, 11618-11630. (SCI, 3.840)
51、H. Zhang*, Y. Shang, M. X. Li, H. Zhao, X. Wang, B. Z. Han, Theoretical Study on the Reaction Mechanism in the UV radiation Cross-linking Process of Polyethylene, RSC Advances, 2016, 6, 110831 – 110839. (SCI, 3.840)
52、Y. Lu, A. H. Wang, P. Shi, H. Zhang*, Z. S. Li, Kinetic Reaction Mechanism of Sinapic Acid Scavenging NO2 and OH Radicals: A Theoretical Study, PloS one, 2016, 11(9), e0162729. (SCI, 3.057)
53、S. M. Sun*, H. Zhang, Theoretical Study on the Reaction Mechanism of 2,4‑D butyl Ester with OH Radical, Theoretical Chemistry Accounts 2016, 135， 109-119. (SCI, 2.584)
54、S. M. Sun*, S. Cheng, H. Zhang, Mechanism and kinetic study on the degradation of unsaturated esters initiated by OH radical,Theoretical Chemistry Accounts 2016, 135, 154-166. (SCI, 2.584)
55、Y．Lu, A. H. Wang, P. Shi, H. Zhang*, A Theoretical Study on the Antioxidant Activity of Piceatannol and Isorhapontigenin Scavenging Nitric oxide and Nitrogen Dioxide Radicals. PloS one, 2017, 12(1), e0169773. (SCI, 3.057)
56、A. H. Wang, Y. Lu, P. Shi, H. Zhang*, Hydroxyl and Hydroperoxyl Radicals Scavenging by Isoliquiritigenin and Liquiritigenin: Quantum Chemical Study, Structural Chemistry, 2017, 28, 1181-1186. (SCI, 1.582)
57、Qiang Zhang, Qiang Wu, Hui Zhang*, Effect of Propane and NaCl-SDS Solution on Nucleation Process of Mine Gas Hydrate, Journal of Chemistry, vol.2017, 2017, ID 1059109, 12 pages. (SCI, 1.300)
58、Xia Du, Hui Zhang*, Yang Lu, AiHua Wang, Peng Shi, ZeSheng Li, Fluorination Reaction on an Inactive sp3 C—H Bond Mediated by Manganese Porphyrin Catalysts: A Theoretical Study, Comput. Theor. Chem., 2017, 1115, 330-334. (SCI, 1.549)
59、Zhiguo Chen, Hui Zhang*, Yan Shang, Qingguo Chen, Baozhong Han, Zesheng Li*, Theoretical Study of OCCHCN as a Potential Alternative Insulation Gas for SF6, AIP Advances, 2017, 7, 015111. (SCI, 1.568)
60、Hong Zhao*, Junqi Chen, Hui Zhang*, Yan Shang, Xuan Wang, Baozhong Han*, Zesheng Li, Theoretical Study on the Reaction of Triallyl Isocyanurate in the UV Radiation Cross-linking of Polyethylene, RSC Adv., 2017, 7, 37095–37104. (SCI, 3.840)
61、Hui Zhang*, Yan Shang, Hong Zhao*, Xuan Wang, Baozhong Han*, Zesheng Li, Theoretical Study on the Reaction of Maleic Anhydride in the UV Radiation Cross-linking Process of Polyethylene, Polymer, 2017, 133, 232-239. (SCI, 3.684)
62、Ting An, Hui Zhang*, Qiang Zhang, Yang Wang, Peng Shi, Influence of CH4 and C3H8 molecules on stability of double-cage of sI clathrate hydrate, Computational and Theoretical Chemistry, 2018, 1123, 128-134. (SCI, 1.139)
63、Aihua Wang, Yang Lu, Xia Du, Peng Shi, Hui Zhang*, A theoretical study on the antioxidant activity of Uralenol and Neouralenol scavenging two radicals, Structural Chemistry, 2018, https://doi.org/10.1007/s11224-018-1090-8. (SCI, 1.582)
64、Zhang Qiang, Wu Qiang, Zhang Hui, Zhang Baoyong, Xia Ting. Effect of montmorillonite on hydrate-based methane separation from mine gas. Journal of Central South University, 2018, 25(1): 38–50. (SCI, 0.601)
65、Chunyang Li, Hong Zhao*, Hui Zhang, Ying Wang*, Zhijian Wu, Baozhong Han*, The role of inserted polymers in polymeric insulation materials: insights from QM/MD simulations, Journal of Molecular Modeling, 2018, 24, 73-84. (SCI, 1.984)
66、Peng Shi, Hui Zhang*, Lin Lin, Chunhui Song, Qingguo Chen, Zesheng Li, Molecular dynamics simulation of four typical surfactants at oil/water interface, Journal of Dispersion Science and Technology, 2018, 39, 1258-1265. (SCI, 1.591)
67、H. Zhang*, Y. Shang, H. Zhao*, Chunyang Li, X. Wang, Baozhong Han, Zesheng Li, Theoretical study on the grafting reaction of maleimide to polyethylene in the UV radiation cross-linking process, Polymers, 2018, 10, 1044. (SCI, 3.364)
68、S. W. Song, H. Zhao*, X. Zheng, H. Zhang, Y. Liu, Y. Wang, B. Z. Han, A density functional theory study of the role of functionalized graphene particles as effective additives in power cable insulation, Royal Society Open Science, 2018, 5 (2):170772. (SCI, 2.243)
69、P. Shi, H. Zhang*, L. Lin, C. H. Song, Q. G. Chen, Z. S. Li, Molecular simulation of surfactants in span series at the decane/water interface, Chemical Engineering Transactions, 2018, 66, 1063-1068. (EI)
70、Peng Shi, Hui Zhang, Lin Lin, Chunhui Song, Qingguo Chen, Zesheng Li, Molecular dynamics study of the effect of inorganic salts on the monolayer of four surfactants at the oil/water interface, Journal of Dispersion Science and Technology, 2018, 39, 1758-1766. (SCI, 1.591)
71、Xia Du, Hui Zhang*, Yuan Yao, Yang Lu, Aihua Wang, Yang Wang, Zesheng Li, Theoretical study on the fluorination of benzene with N-Fluoropyridinium salts in acetonitrile solution, Structural Chemistry, 2018, 29, 1601-1607. (SCI, 2.019)
72、Yang Wang, Hui Zhang*, Hong Zhao, Ting An, Xia Du, Yang Lu, Zhiguo Chen, Theoretical study on the grafting reaction of maleimide and its derivatives to polyethylene in the UV radiation cross-linking process, Structural Chemistry, 2019, 30, 1033–1039. (SCI, 2.019)
73、Aihua Wang, Yang Lu, Xia Du, Peng Shi, Hui Zhang*, A Quantum chemical Study on the Reactivity of Four Licorice Flavonoids Scavenging •OOCl3C, Structural Chemistry, 2019, 30, 1795–1803.
74、Hui Zhang*, Yan Shang, Hong Zhao*, Xuan Wang, Baozhong Han*, Zesheng Li, Further discussion on the reaction behaviour of triallyl isocyanurate in the UV radiation cross-linking process of polyethylene: a theoretical study, R. Soc. open sci. 2019, 6, 182196. (SCI, 2.243)
75、Peng Shi, Hui Zhang*, Lin Lin, Chunhui Song, Qingguo Chen*, Zesheng Li, Molecular dynamics simulation of four typical surfactants in aqueous solution, RSC Adv., 2019, 9, 3224. (SCI, 3.840)
76、Hui Zhang*, Yang Liu*, Xia Du, Xuan Wang, Xiaonan Zheng, Zesheng Li, Effect of SiC nano-size fillers on the aging resistance of XLPE insulation: A first-principles study, Journal of Molecular Graphics and Modelling, 2019, 93, DOI: 10.1016/j.jmgm.2019.107438
77、Hui Zhang*, Chi Deng, Yan Shang, Hong Zhao, Xuan Wang, Baozhong Han*, Zesheng Li, Theoretical study on the hydrogen addition reactions to bismaleimide in the ultra-violet radiation cross-linking process of polyethylene, Journal of Molecular Graphics and Modelling, 2020, 100, DOI: 10.1016/j.jmgm.2020.107679