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西南大学资源环境学院教授简介－－杨 刚
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 ruier123
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发表于 2015-06-12 16:42
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杨 刚 http://zihuan.swu.edu.cn/viscms/u/cms/zihuan/201504/09230449n78t.JPG 杨刚，男，1977年5月出生，2005年12月毕业于中科院大连化学物理研究所，获理学博士学位。现为西南大学资源环境学院教授，博士生导师。 主要研究方向： 计算化学、土壤化学、催化、生物质转化、药物设计 科研项目： 主持了国家自然科学基金、重庆市优秀人才计划、留学回国基金、中国博士后基金、中央高校科研业务费专项资金、林业科技支撑计划子项目、引进人才基金等项目，并作为主要完成人参与了973计划、中科院知识创新项目、荷兰政府项目（CatchBio）、Evonik公司等项目的研究工作。 论文发表： 应邀在CRC/Apple Academic, Bentham等出版社撰写了5部专著章节和Int. J. Mol. Sci., Catal. Survey Asia等期刊撰写了多篇综述/论文。迄今已发表83篇学术论文，其中SCI收录76篇，第一作者/通讯作者论文64篇。大多数论文发表于Angew. Chem. Int. Ed., ChemSusChem, Chem. Eur. J., Sci. Rep., J. Catal., ChemCatChem, J. Phys. Chem., Phys. Chem. Chem. Phys., Appl. Catal.等国际知名期刊。 学术任职：担任Current Catalysis地区编辑和Current Computer-aided Drug Design, Journal of Computational Biology and Bioinformatics Research等国际专业期刊（客座）编辑或编委；担任Angew. Chem. Int. Ed., Journal of Chemical Information Modeling, Journal of Computational Chemistry, International Journal of Hydrogen Energy等30多种期刊和专业书籍审稿专家。 代表性专著/论文： 1. Rui Tian, Gang Yang*, Xinmin Liu, Hang Li*. Specific Anion Effects for the Aggregation of Colloidal Minerals: A Joint Experimental and Theoretical Study. J Phys Chem C 2015, 119, 4856-4864. 2. Gang Yang*, Lijun Zhou. Zwitterionic versus Canonical Amino Acids over the Various Defects in Zeolites: A two-layer ONIOM Calculation. Sci Rep 2014, 4, 6594. 3. Rui Tian, Gang Yang*, Hang Li*, Xiaodan Gao, Xinmin Liu, Hualing Zhu, Ying Tang. Activation Energies of Colloidal Particle Aggregation: Towards a Quantitative Characterization of Specific Ion Effects. Phys Chem Chem Phys 2014, 16, 8828-8836. 6. Xinmin Liu, Gang Yang*, Hang Li*, Rui Tian, Rui Li, Xianjun Jiang, Jiupai Ni and Deti Xie. Observation of Significant Steric, Valence and Polarization Effects and their Interplay: A Modified Theory for Electric Double Layer. RSC Adv 2014, 4, 1189-1192. 7. Gang Yang*, Lijun Zhou. A DFT Study on the Direct Benzene Hydroxylation Catalyzed by Framework Fe and Al Sites in Zeolites. Catal Sci Tech 2014, 4, 2490-2493. 8. Gang Yang, Evgeny Pidko, Emiel Hensen. A Mechanistic Study of Ni-catalyzed Carbon Dioxide Coupling with Ethylene towards the Acrylic Acid Manufacture. ChemCatChem 2014, 6, 800-807. 9. Gang Yang, Evgeny Pidko, Emiel Hensen. The Mechanism of Glucose Isomerization to Fructose over Sn-BEA Zeolite: A Periodic Density Functional Theory Study. ChemSusChem 2013, 6, 1688-1696. 10. Gang Yang*, Evgeny Pidko, Emiel Hensen. Structure, Stability and Lewis Acidity of Mono and Double Ti, Zr and Sn Framework Substitutions in BEA Zeolites: A Periodic DFT Study. J Phys Chem C 2013, 117, 3976-3986. 11. Gang Yang, Evgeny Pidko, Emiel Hensen. Mechanism of Brönsted acid-catalyzed conversion of carbohydrates. J Catal 2012, 295, 122-132. 12. Gang Yang*, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Reaction Mechanisms of H2 Reduction and N2O Decomposition on Fe/ZSM-5 Zeolite: A Density Functional Theoretical Study. J Phys Chem C 2009, 113, 18184-18190.（影响因子 = 4.835） 13. Zhiwei Yang, Gang Yang*, Yuangang Zu, Yujie Fu, Lijun Zhou. The Conformational Analysis and Proton Transfer of the Neuraminidase Inhibitors: A Theoretical Study. Phys Chem Chem Phys 2009, 11, 10035-10041. 14. Gang Yang*, Lijun Zhou, Xianchun Liu, Xiuwen Han. Lewis and Brönsted Acidic Sites in M4+-doped Zeolites (M = Ti, Zr, Ge, Sn, Pb) as Well as Interactions with Probe Molecules: A DFT Study. J Mol Catal A: Chemical 2012, 363-364, 371-379. 15. Gang Yang*, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Adsorption, Reduction and Storage of Hydrogen within ZSM-5 Zeolite Exchanged by Various Ions: A Comparative Theoretical Study. Micropor Mesopor Mat 2012, 161, 168-178. 16. Gang Yang*, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Density Functional Calculations on the Distribution, Acidity and Catalysis of the Ti(IV) and Ti(III) Ions in MCM-22 Zeolite. Chem Eur J 2011, 17, 1614-1621. 17. Gang Yang*, Zhiwei Yang, Lijun Zhou, Rongxiu Zhu, Chengbu Liu. A Revisit to Proline-catalyzed Aldol Reaction: Interactions with Acetone and Catalytic Mechanisms. J Mol Catal A: Chemical 2010, 316, 112-117. 18. Gang Yang*, Lijun Zhou, Chengbu Liu. Glycine Canonical and Zwitterionic Isomers within Zeolites. J Phys Chem B 2009, 113, 10399-10402. 19. Gang Yang*, Yuangang Zu,Yujie Fu, Lijun Zhou, Rongxiu Zhu, Chengbu Liu. Assembly and Stabilization of Multi- Amino Acid Zwitterions by the Zn(II) Ion: A Computational Exploration. J Phys Chem B 2009, 113, 4899-4906. 20. Gang Yang*, Yuangang Zu, Chengbu Liu, Yujie Fu, Lijun Zhou. Stabilization of Amino Acid Zwitterions with Varieties of Anionic Species: The Intrinsic Mechanisms. J Phys Chem B 2008, 112, 7104-7110. 21. Gang Yang*, Jing Guan, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Microporous ZSM-5 Zeolite Anchors the Exceptionally Active Triplet Oxygen Species: Mechanistic Studies. Micropor Mesopor Mater 2008, 113, 583-587. 22. Gang Yang*, Xijie Lan, Jianqing Zhuang, Ding Ma, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Acidity and Defect Sites in Titanium Silicalite Catalyst. Appl Catal A: General 2008, 337, 58-65. 23. Gang Yang*, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Peroxo and Superoxo Anions: A DFT Study on Fe/ZSM-5 Zeolite. Catal Commun 2007, 8, 1981-1984. 24. Gang Yang*, Xianchun Liu, Xiuwen Han, Xinhe Bao. Density Functional Theoretical Investigations on Various Nanostructural Zeolite Surfaces. J Phys Chem B 2006, 110, 23388-23394. 25. Gang Yang*, Lijun Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. H2 Adsorption on Fe/ZSM-5 Zeolite: A Theoretical Approach. J Phys Chem B 2006, 110, 22295-22297. 26. Gang Yang, Xiuwen Han, Xiumei Liu, Pengyu Yang, Yonggui Zhou, Xinhe Bao. Study on Conformation Interconversions of Novel Chiral 3-Alkyl-3,4-dihydro-2H- benzo[1,4]oxazine Derivatives: From Ab Initio Density Functional Calculations and Dynamic NMR Experiments. J Phys Chem B 2005, 109, 18690-18698. 27. Gang Yang, Yan Wang, Danhong Zhou, Xianchun Liu, Xiuwen Han, Xinhe Bao. Density Functional Theory Calculations on Various M/ZSM-5 Zeolites: Interaction with Probe Molecule H2O and Relative Hydrothermal Stability Predicted by Binding Energies. J Mol Catal A: Chemical 2005, 237, 36-44. 28. Jianqin Zhuang, Gang Yang, Ding Ma, Xijie Lan, Xiumei Liu, Xiuwen Han, Xinhe Bao, Ulrich Mueller. In Situ Magnetic Resonance Investigation of Styrene Oxidation over TS-1 Zeolites. Angew Chem Int Ed 2004, 43, 6377-6381. (Dr. Zhuang and I contribute to the experiments and theoretical calculations, respectively) 29. Gang Yang, Yan Wang, Danhong Zhou, Jianqin Zhuang, Xianchun Liu, Xiuwen Han, Xinhe Bao. On Configuration of Exchanged La3+ on ZSM-5: A Theoretical Approach to the Improvement in Hydrothermal Stability of La-modified ZSM-5 Zeolite. J Chem Phys 2003, 119, 9765-9770. 联系地址：400715，重庆市北碚区天生路2号，西南大学资源环境学院 E-mail：theobiochem@gmail.com 网页：http://www.researcherid.com/rid/B-2616-2008 |
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