刘杨科研成果

基本信息 科学研究 （Research） 论文著作 (Publications) 教学研究 (Teaching) 新闻 新建主栏目 基本信息 （Personal Information） 名称 刘杨：女; 1980生; 辽宁兴城；满族； 副研究员; 博士生导师. (Yang Liu: Female; Birth in 1980; Xingcheng，Liaoning；Manchu; Associate Professor; Doctoral Supervisor 工作经历 (work experience) 标题 哈尔滨工业大学 (Harbin Institute of Technology) 起讫时间 2012.5-now 职位/职称 副研究员 (Associate Professor) 工作单位 化工与化学学院 （School of Chemistry and Chemical Engineering） 简单介绍 教育经历 （Education） 标题 硕博连读 (Ph.D.) 起讫时间 2003/9-2008/6 所学专业 物理化学 (phisical chemistry) 学习机构 吉林大学 理论化学研究所 (Jilin University) 学历 博士 (Ph.D.) 简单介绍 标题 博士后研究经历 (Postdoc) 起讫时间 2008/8-2010/7 所学专业 理论和计算化学 (theoretical and computational chemistry) 学习机构 美国德州大学奥斯汀分校(University of Texas at Austin) 学历 简单介绍 标题 博士后研究经历 (Postdoc) 起讫时间 2010/8-2011/12 所学专业 理论计算和光谱模拟 (theoretical and computational chemistry & spectral simulation) 学习机构 美国肯塔基大学（University of Kentucky） 学历 简单介绍 主要任职 任职名称 杂志审稿人 任职时间 简单介绍 ACS Catalysis；Chemical Engineering Journal；Journal of Materials Chemistry A； Applied Surface Science；Journal of Physical Chemistry A、C 等杂志的审稿人 招生信息 名称 欢迎各大高校、科研院所优秀的学子来我课题组攻读硕士和博士学位。每年各1-2名额。 有意者请将个人简历发送至yang.liu@hit.edu.cn，相关申请政策请参看哈尔滨工业大学研招办网站，yzb.hit.edu.cn 研究领域 （Reaearch Interests） 名称 (1)功能材料的理论设计和光电催化机理； Theoretical design for the multi-functional materials and computational study for the optical/electrical catalytic reaction mechanism. (2) 环境污染物降解和去除机制的理论和实验研究 Theoretical and experimental research on the degradation and removal mechanisms of environmental pollutants (3)姜-泰勒效应的理论发展及其应用； Theoretical development and applications of Jahn-Teller effect (4)激发态化学和光化学反应机理的理论研究； Theoretical study of excited state chemistry and photochemical reaction mechanism. 团队成员 (Group members) 名称 1. 博士生 (doctor) 王 雅 ：2014-2016硕士，荣获优秀硕士毕业生银奖称号；2016级博士研究生（推荐攻博），2020年毕业，高校任职。 张佳佳：2017级博士研究生，已毕业；高校任职。 郑晓楠：2016-2018硕士，荣获优秀硕士毕业生金奖称号；2018级博士研究生（推荐攻博）在读；高校任职。 李笑笑：2020级博士研究生（申请考核）在读； 闫 玙：2022级博士研究生（推荐攻博）在读； 陈佳琪：2022级博士研究生（推荐攻博）在读； 2. 硕士生 (master) 王彦翔 ：2015-2017硕士研究生（已毕业，中车长春电力机车研究所有限公司） 申志宏：2017级硕士研究生（已毕业，企业任职） 陈 聪：2018级硕士研究生（已毕业，宁德新能源科技有限公司） 王思琦：2019级硕士研究生（已毕业，厦门士兰明镓化合物半导体有限公司） 闫玙：2020级硕士研究生（已毕业，推荐攻博） 牟晓洋：2021级硕士研究生（已毕业，双登集团） 徐丹：2021级硕士研究生（已毕业，大庆一中） 陈浩：2022级硕士研究生，在读 廖海源：2023级硕士研究生，在读 3.本科生 （undergraduate） 朱留丙：本科毕业设计（已毕业，本校读硕士） 王天祥：本科毕业设计（已毕业，外校读硕士） 贾镜玉：科创项目，校级立项 李毅豪，司马雨辰：科创项目，荣获2018 级大一年度项目二等奖 刘雪晴：本科毕业设计 科研项目 (Research Projects) 项目名称 姜-泰勒效应的发展及其在与大气和星际相关瞬变物种结构和稳定性中的应用 项目来源 国家自然科学基金-青年项目 (National Natural Science Foundation of China ) 开始时间 2013.01 结束时间 2015.12 项目经费 22.0万元 担任角色 负责 项目类别 纵向项目 项目状态 完成 简单介绍 项目名称 稀土金属团簇和配合物体系的微观电子结构及其特殊成键性质的理论研究 项目来源 黑龙江省自然科学基金-面上项目 (Natural Science Foundation of Heilongjiang province in China) 开始时间 2016.07 结束时间 2019.07 项目经费 6.0万元 担任角色 负责 项目类别 纵向项目 项目状态 完成 简单介绍 学术交流 （Academic Communication) 奖项名称 2023.5.14 “25th International Conference on the Jahn-Teller Effect” @Canada 获奖时间 完成人 所获奖项 简单介绍 口头报告： “Pseudo Jahn-Teller Effect in Photochemistry and Catalytic Chemistry” 奖项名称 2020 年11月 第二届东北高校原子与分子物理学术研讨会 @沈阳 获奖时间 完成人 所获奖项 简单介绍 口头报告“姜泰勒效应的理论发展与应用“ 奖项名称 2017年6月 第十三届全国量子化学会议 @大连 获奖时间 完成人 所获奖项 简单介绍 口头报告 " 赝姜-泰勒效应的最新进展和应用“” 奖项名称 2012年8月 国际会议“XXIst International Symposium on the Jahn-Teller Effect”@日本筑波大学 获奖时间 完成人 所获奖项 简单介绍 Oral presentation at the "XXIst International Symposium on the Jahn-Teller Effect" in Tsukuba, Japan, 2012. 发表论文（Publications） 名称 (54) Xiaoxiao Li, Yu Yan, Yuan Yao, Yang Liu*, Three-in-one tandem catalysis for alkaline hydrogen evolution reaction on Pt/CoV-LDHs; Chemical Engineering Journal, 2024, 489, 151237; https://authors.elsevier.com/a/1ixaL4x7R2kCDi (IF=15.1, Q1) (53)Xiaonan Zheng, Yu Yan, Xiaoxiao Li, Yang Liu*, Yuan Yao*; Theoretical insights into dissociative-associative mechanism for enhanced electrochemical nitrate reduction to ammonia;Journal of Hazardous Materials,2023,446,130679. https://doi.org/10.1016/j.jhazmat.2022.130679 (IF=14.224, Q1) (52)Xiaoxiao Li, Yu Yan, Xiaonan Zheng, Yuan Yao*, Yang Liu*; Atomically Dispersed V-N-C Catalyst with Saturated Coordination Effect for Boosting Electrochemical Oxygen Reduction; Chemical Engineering Journal, 2022, 444, 136363. https://doi.org/10.1016/j.cej.2022.136363 (IF=13.273，化工Q1) (51)Yu Yan#, Xiaonan Zheng#, Xiaoxiao Li, Yuan Yao, Yang Liu*; Vibronic Coupling of Adjacent Single-Atom Co and Zn Sites for Bifunctional Electrocatalysis of Oxygen Reduction and Evolution Reactions; The Journal of Physical Chemistry Letters. 2022,13,2548-2554 https://doi.org/10.1021/acs.jpclett.2c00209 （IF=6.888,化学Q2，原子分子物理Q1） （50）Yu Yan#, Hongjiao Qu#, Xiaonan Zheng, Kexin Zhao, Xiaoxiao Li, Yuan Yao*, Yang Liu*, Amorphous core/shell Ti-doped SnO2 with synergistically improved N2 adsorption/activation and electrical conductivity for electrochemical N2 reduction. Chinese Chemical Letters,2022,133,4655-4658 https://doi.org/10.1016/j.cclet.2021.12.054 (IF=6.779， 化学Q2) （49）Zihao Fu, Hong-Bin Xie,* Jonas Elm, Yang Liu, Zhiqiang Fu, and Jingwen Chen， Atmospheric Autoxidation of Organophosphate Esters；Environmental Science & Technology, 2022, 56, 11, 6944–6955 https://doi.org/10.1021/acs.est.1c04817 （IF=11.357, 环境工程Q1） （48）Xiaonan Zheng, Yang Liu*, Yu Yan, Xiaoxiao Li, Yuan Yao*, Modulation effect in adjacent dual metal single atom catalysts for electrochemical nitrogen reduction reaction. Chinese Chemical Letters, 2022, 33, 1455-1458 (IF=6.779,化学Q2) https://doi.org/10.1016/j.cclet.2021.08.102 . （47）Xiaonan Zheng, Yang Liu, Yuan Yao*, Trimetallic single-cluster catalysts for electrochemical nitrogen reduction reaction: Activity prediction, mechanism, and electronic descriptor. Chemical Engineering Journal, 2021, 426, 130745. (IF=13.273，化工Q1) https://linkinghub.elsevier.com/retrieve/pii/S1385894721023317 （46） Xiaonan Zheng, Yuan Yao, Wei Ye, Peng Gao, Yang Liu*, Building up Bimetallic Active Sites for Electrocatalyzing Hydrogen Evolution Reaction under Acidic and Alkaline Conditions. Chemical Engineering Journal, 2021, 413, 128027. (IF=13.273，化工Q1) https://www.sciencedirect.com/science/article/pii/S1385894720341450 (45) Yang Li, Kai Cui, Xuehui Xu, Jie Chen, Yang Liu, Jinzhu Wu, Songtao Lu, Wei Qin,* and Xiaohong Wu*; Understanding the Essential Role of PbI2 Films in a High-Performance Lead Halide Perovskite Photodetector; J. Phys. Chem. C 2020, 124, 15107-15114. (IF=4.309,化学Q2) https://dx.doi.org/10.1021/acs.jpcc.0c04488 (44) Cong Chen, Yang Liu*, Yuan Yao*, Ammonia Synthesis via Electrochemical Nitrogen Reduction Reaction on Iron Molybdate under Ambient Conditions. European Journal of Inorganic Chemistry, 2020,34, 3236-3241. (IF=2.529, 化学Q3) https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/ejic.202000554 (43)Win Thi Yein, Qun Wang, Yang Liu, Yang Li, Jiahuang Jian, Xiaohong Wu*; Piezo-potential induced molecular oxygen activation of defect-rich MoS2 ultrathin nanosheets for organic dye degradation in dark; Journal of Environmental Chemical Engineering; 2020, 8,103626. (IF=4.300) https://doi.org/10.1016/j.jece.2019.103626 (42) Xiaonan Zheng, Yuan Yao, Ya Wang, Yang Liu*, Tuning the Electronic Structure of Transition Metal Embedded in Nitrogen-doped Graphene for Electrocatalytic Nitrogen Reduction: A first-principles Study; Nanoscale, 2020, 12, 9696–9707 (IF=6.970,化学Q2) https://pubs.rsc.org/en/content/articlelanding/2020/nr/d0nr00072h (41) Ya Wang, Yuan Yao, Xiaonan Zheng, Weiqi Li, and Yang Liu*, Pseudo Jahn-Teller Origin of Buckling Deformation of Two-dimensional Group-IV-based Triphosphides as an Anode of Sodium-ion Batteries[J]. The Journal of Physical Chemistry C, 2020, 124(14): 7699-7707 (IF=4.309, 化学Q2) https://pubs.acs.org/doi/10.1021/acs.jpcc.0c01139 (40) Jiajia Zhang, Fang Cui*, Linxu Xu, Qinghai Ma, Yiwen Gao, Yang Liu*,Tieyu Cui; Construction of magnetic NiO/C nanosheets derived from coordination polymers for extraordinary adsorption of dyes; Journal of Colloid and Interface Science, 2020 ,561, 542–550（IF=7.489,化学Q1） https://www.sciencedirect.com/science/article/pii/S0021979719313499?dgcid=author (39) 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 modeling, 2019 ,93,107438, (IF=1.863) https://www.sciencedirect.com/science/article/pii/S1093326319303535?via=ihub (38) Yan Chen, Mingyue Zhou, Yuanhua Xia, Xun Wang, Yang Liu, Yuan Yao,Hang Zhang,Yang Li,Songtao Lu, Wei Qin, Xiaohong Wu,* and Qing Wang* ; A Stable and High-Capacity Redox Targeting-Based Electrolyte for Aqueous Flow Batteries; Joule, 2019, 3, 2255-2267. https://www.cell.com/joule/fulltext/S2542-4351(19)30276-4?rss=yes&tdsourcetag=s_pcqq_aiomsg (IF=41.248, 材料Q1) (37) Xueluer Mua#, Yang Liu# (共一) , Shengsen Liu , Yilin Sun , Nana Lu , Yingxi Lu , Weiqi Li , Xianfeng Zhoua, , Bin Liue, Zhibo Li, A cyanine-derived near-infrared molecular rotor for ratiometric imaging of mitochondrial viscosity in cells；Sensors and Actuators B: Chemical; 2019, 298, 126831 （IF=6.393, 化学Q1） https://www.sciencedirect.com/science/article/pii/S0925400519310305?via=ihub (36)Ya Wang, Yang Liu*, Isaac B. Bersuker*; Sudden polarization and zwitterions formation as a pseudo Jahn-Teller effect: A new insight in photochemistry of alkenes;Physical Chemistry Chemical Physics,2019, 21, 10677 - 10692. (IF=3.963，化学Q2) https://pubs.rsc.org/en/content/articlehtml/2019/CP/C9CP01023H (35) Denghu Chang, Rong Zhao, Congyin Wei, Yuan Yao, Yang Liu, Lei Shi*, Sulfonamide-Directed Chemo- and Site-Selective Oxidative Halogenation/Amination Using Halogenating Reagents Generated in Situ from Cyclic Diacyl Peroxides, Journal of Organic Chemistry, 2018, 83, 3305-3315. https://pubs.acs.org/doi/10.1021/acs.joc.8b00243 (34)Ya Wang, Yang Liu*, Xiaonan Zheng; Pseudo Jahn-Teller origin tracking for symmetry breaking in halogenabenzene: How can a bird fly? Int J Quantum Chem. 2018, 118, e25704. (IF=2.545) https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.25704 (33)Dan Zhu, Yuan Yao,Rong Zhao, Yang Liu, and LeiShi*; Metal-Free Geminal Difunctionalization of Diazocarbonyl Compounds: A One-Pot Multicomponent Strategy for the Construction of a,b-Diamino Carbonyl Derivatives；Chemistry- A European Journal 2018, 24, 4805. https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201800555 (32) Xiaonan Zheng, Yang Liu*, Ya Wang; Electrical Tree Inhibition by SiO2/XLPE nanocomposites: Insights from First-Principles Calculations; Journal of Molecular Modeling, 2018, 24, 200. https://link.springer.com/article/10.1007/s00894-018-3742-4 (31) Shuwei Song, Hong Zhao*, Xiaonan Zheng, Hui Zhang, Yang Liu*, YingWang and Baozhong Han*; A density functional theory study of the role of functionalized graphene particles as effective additives in power cable insulation; R. Soc. open sci. 2018, 5, 170772. http://rsos.royalsocietypublishing.org/content/5/2/170772 (30)Rong Zhao, Yuan Yao, Dan Zhu, Denghu Chang, Yang Liu, and Lei Shi; Visible-Light-Enhanced Ring Opening of Cycloalkanols Enabled by Br？nsted Base-Tethered Acyloxy Radical Induced Hydrogen Atom Transfer-Electron Transfer; Org. Lett. 2018, 20, 1228？1231 (IF=6.579) https://pubs.acs.org/doi/abs/10.1021/acs.orglett.8b00161?journalCode=orlef7&quickLinkVolume=20&quickLinkPage=1228&selectedTab=citation&volume=20 (29)Yiliang Zhang, Yuan Yao, Li He, Yang Liu, Lei Shi; Rhodium(II)/Chiral Phosphoric Acid-Cocatalyzed Enantioselective O–H Bond Insertion of a-Diazo Esters; Adv. Synth, Catal., 2017, 359, 2754-2761. (IF=5.646) http://onlinelibrary.wiley.com/doi/10.1002/adsc.201700572/full (28) Yang Liu*, Yanxiang Wang, Xiaonan Zheng, Ya Wang; Synergistic effect of nitrogen and sulfur co-doped graphene as efficient metal-free counter electrode for dye-sensitized solar cells: A first principle study; Computational Materials Science 2017,136, 44–51. （IF=2.292） http://www.sciencedirect.com/science/article/pii/S0927025617302215?via=ihub (27)Shaoyan Gan, Junjie Yin, Yuan Yao, Yang Liu, Denghu Chang, Dan Zhu and Lei Shi ；Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides Org. Biomol. Chem., 2017, 15, 2647. (IF=3.564) http://pubs.rsc.org/en/Content/ArticleLanding/2017/OB/C7OB00021A#!divAbstract (26) Dilrukshi Hewage, Wenjin Cao, Jong Hyun Kim, Ya Wang, Yang Liu*, and Dong-Sheng Yang*, Spectroscopic Characterization of Nonconcerted [4+2] Cycloaddition of 1,3-Butadiene with Lanthanacyclopropene To Form Lanthanum？Benzene in the Gas Phase; J. Phys. Chem. A 2017, 121, 1233？1239 (IF=2.847) http://pubs.acs.org/doi/10.1021/acs.jpca.6b12239 (25) Zhou Yu, Yu Bai*, Yanxiang Wang, Yuxuan Liu, Yanli Zhao, Yang Liu*, Kening Sun*; One-step synthesis of three-dimensional nitrogen and sulfur co-doped graphene networks as low cost metal-free counter electrodes for dye-sensitized solar cells; Chemical Engineering Journal 2017, 311,302–309 (IF=5.310,化工Q1) http://www.sciencedirect.com/science/article/pii/S1385894716316552?via=ihub (24) Yang Liu*, Ya Wang, Isaac B. Bersuker; Geometry, Electronic Structure, and Pseudo Jahn-Teller Effect in Tetrasilacyclobutadiene Analogues; Scientific Reports，2016, 6:23315. （IF= 5.228） http://www.nature.com/articles/srep23315 (23) Willian Hermoso, Yang Liu*, and Isaac B. Bersuker*, Novel Effect Induced by Pseudo-Jahn？Teller Interactions: Broken Cylindrical Symmetry in Linear Molecules; Journal of Chemical Theory and Computation, 2014,10, 4377. (IF= 5.498,化学Q1) http://pubs.acs.org/doi/10.1021/ct500626j (22) Yang Liu *; Singlet–triplet separation induced by the Pseudo Jahn–Teller effect examples: The CX2 and NX2+ (X = H, Cl) molecules; Computational and Theoretical Chemistry, 2014,1044, 94. (IF=1.549) http://www.sciencedirect.com/science/article/pii/S2210271X14002825?via=ihub (21)Yang Liu*, Wenli Zou, Isaac B. Bersuker; Revisiting symmetry breaking in BNB: The key role of electronic Correlation; Chemical Physics Letters, 2014, 603,18. (IF=2.145) http://www.sciencedirect.com/science/article/pii/S0009261414003054?via=ihub (20) Zhi-Bo Zhao, Yang Liu, Yuan Yao*; Computational determination of binding structures and free energies of glucose 6-phosphate ehydrogenase with novel steroid inhibitors, Journal of Molecular Graphics and Modelling, 2014,51, 168-172. (IF=1.754) http://www.sciencedirect.com/science/article/pii/S1093326314000825?via=ihub (19) Qiang Liu, Jiang Meng, Yang Liu, Chao Yang, and Wujiong Xia*； Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins, Journal of Organic Chemistry, 2014, 79, 8143-8155. (IF=4.849) http://pubs.acs.org/doi/10.1021/jo5013465 (18)Yang Liu*, Isaac B. Bersuker, James E. Boggs; Pseudo Jahn-Teller origin of puckering in C4H42+, Si4H42+, and C4F42+ dications; Chemical Physics, 2013, 417, 26-29. (IF=1.767) http://www.sciencedirect.com/science/article/pii/S0301010413001304?via=ihub (17) Sudesh Kumari, Mourad Roudjane, Dilrukshi Hewage, Yang Liu*, Dong-sheng Yang*; High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: The role of 4f electrons; Journal of Chemical Physics, 2013, 138, 164307. (IF=3.164,化学Q2) http://aip.scitation.org/doi/10.1063/1.4801787 (16)Yang Liu, Isaac B. Bersuker*, Pablo Garcia-Fernandez, James E. Boggs;Pseudo Jahn-Teller origin of nonplanarity and rectangular-ring structure of tetrafluorocyclobutadiene; J. Phys. Chem. A., 2012, 116, 756. (IF=2.847) http://pubs.acs.org/doi/10.1021/jp3032836 (15) Yutian Shao, Chao Yang, WeijunGui, Yang Liu, WujiongXia*; Photochemical studies on aromatic γ,δ-epoxy ketones: efficient synthesis of benzocyclobutanones and indanones; Chemical Communications, 2012, 48, 3560-3562. (IF=6.319, 化学Q2) http://pubs.rsc.org/en/Content/ArticleLanding/2012/CC/c2cc17960a#!divAbstract (14)Yang Liu, Sudesh Kumari, Mourad Roudjane, Shenggang Li, Dong-Sheng Yang*; Electronic states and pseudo Jahn-Teller distortion of heavy metal-monobenzene complexes: M(C6H6) (M=Y, La, and Lu); Journal of Chemical Physics, 2012, 136, 134310. (IF=3.164,化学Q2) http://aip.scitation.org/doi/10.1063/1.3700085 (13) Lu Wu; Yang Liu; Changhua Zhang; Shenggang Li; David A. Dixon; Dong-Sheng Yang*, Mass-analyzed threshold ionization of an excited state of lanthanum dioxide, Journal of Chemical Physics, 2012, 137, 034307. (IF=3.164,化学Q2) http://aip.scitation.org/doi/10.1063/1.4734312 (12)Yang Liu, Lu Wu, Chang-Hua Zhang, Serge Krasnokutski, and Dong-Sheng Yang*; Electronic states and spin-orbit splitting of lanthanum dimer, Journal of Chemical Physics. 2011, 135, 034309. (IF=3.164,化学Q2) http://aip.scitation.org/doi/10.1063/1.3615505 (11) Pablo Garcia-Fernandez, Yang Liu, Isaac B. Bersuker*, and James E. Boggs; Pseudo Jahn–Teller origin of cis–trans and other conformational changes. The role of double bonds, Physical Chemistry Chemical Physics. 2011, 13, 3502. (IF=4.123) http://pubs.rsc.org/en/Content/ArticleLanding/2011/CP/c0cp00900h#!divAbstract (10)Yang Liu, Isaac B. Bersuker*, Wenli Zou, and James E. Boggs; Pseudo Jahn–Teller versus Renner–Teller effects in the instability of linear molecules, Chemical Physics. 2010, 376, 30-35. (IF=1.767) http://www.sciencedirect.com/science/article/pii/S0301010410003551?via=ihub (9) Wenli Zou, Yang Liu, James E. Boggs*; Relativistic ab initio study on PtF and HePtF, Dalton Transactions, 2010, 39, 2023–2026. (IF=4.029) http://pubs.rsc.org/en/Content/ArticleLanding/2010/DT/b922850k#!divAbstract (8)Wenli Zou, Yang Liu, Wenjian Liu, Ting Wang, and James E. Boggs*; He@Mo6Cl8F6: A Stable Complex of Helium, Journal of Physical Chemistry A. 2010, 114, 646–651. (IF=2.847) http://pubs.acs.org/doi/abs/10.1021/jp908254r (7)Wenli Zou, Dong Xu, Peter Zajac, Andrew L. Cooksy, Isaac B. Bersuker, Yang Liu and James E. Boggs; Symmetry breaking in linear ZnCl2+: A theoretical study, Journal of Molecular Structure. 2010, 978, 263-268. (IF=1.753) http://www.sciencedirect.com/science/article/pii/S0022286010003200?via=ihub (6) Yang Liu, Isaac B. Bersuker, Wenli Zou, James E. Boggs*; Combined Jahn-Teller and Pseudo-Jahn-Teller Effect in the CO3 Molecule: A Seven-State Six-Mode Problem, Journal of Chemical Theory and Computation. 2009, 5, 2679-2686. (IF= 5.498， 化学Q1) http://pubs.acs.org/doi/abs/10.1021/ct9002515 (5) Yang Liu, Wenli Zou, Isaac B. Bersuker, James E. Boggs*; Symmetry breaking in the ground state of BNB: A high level multireference study，Journal of Chemical Physics. 2009, 130, 184305. (IF=3.164,化学Q2) http://aip.scitation.org/doi/full/10.1063/1.3129822 (4) Wenli Zou, Yang Liu, James E. Boggs*; Theoretical study of RgMF (Rg = He, Ne; M = Cu, Ag, Au): Bonded structures of helium, Chemical Physics Letters. 2009, 482, 207–210. (IF=1.815) http://www.sciencedirect.com/science/article/pii/S0009261409012536?via=ihub (3)Yang Liu, Xu-Ri Huang*, Chia-Chung Sun; A CASPT2//CASSCF study of the quartet excited state a4A’’of the HCNN radical, Theoretical Chemistry Accounts. 2007, 118, 915–922. (IF=1.890) https://link.springer.com/article/10.1007/s00214-007-0372-9 (2) Yang Liu, Guang-Tao Yu, Xu-Ri Huang*, and Chia-Chung Sun; Structure and stability of isomers of the promising interstellar molecule PC3O, Theoretical Chemistry Accounts. 2006, 115, 410–426. (IF=1.890) https://link.springer.com/article/10.1007/s00214-006-0122-4 (1) Yang Liu, Jian-Kang Yu, Xu-Ri Huang*, and Chia-Chung Sun; Theoretical study of photodissociation dynamics on the lowest-lying Rydberg state of ketene, Journal of Chemical Physics. 2006, 125, 044311. (IF=3.164,化学Q2) http://aip.scitation.org/doi/10.1063/1.2220568 讲授课程 (Teaching) 名称 1.本科生选修课程：分子和晶体的对称性(Symmetry of Molecule and crystal) 2.本科生文化素质核心课：神奇的计算化学（Amazing computational chemistry） 3.研究生课程：群论在化学中的应用（Group Theory in chemistry） 教学成果 成果名称 1.《群论在化学中的应用》获 2021年哈工大研究生课程思政立项，2022年研究生精品课培育项目。 2. 教学论文《大类招生背景下高校化学专业课程通识化建设思考》发表于全国中文北大核心期刊《化学教育》，2023，44（04），13-18。 课题组大家庭的温暖日常（NEWs） 新闻标题 恭喜王雅博士顺利毕业，扬帆起航！ 发布时间 2020.6 新闻标题 恭喜王思琦硕士顺利毕业！大展宏图！ 发布时间 2021.6 新闻标题 恭喜郑晓楠博士，闫屿硕士，刘雪晴学士 发布时间 2022.6 新闻标题 金秋九月，郑晓楠博士毕业留念 发布时间 2022.9.30 新闻标题 牟晓洋、徐丹硕士顺利毕业 发布时间 2023.6 新闻标题 常回家看看 发布时间 2023.10.9