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吴玮，厦门大学长江学者特聘教授，博士生导师。1992年至1994年在意大利Pisa大学从事博士后研究。现任厦门大学化学化工学院教授，福建省理论与计算化学重点实验室主任。已发表学术论文170余篇。2000年获教育部“中国高校自然科学奖”,一等奖（第一完成人），2001年获教育部“高校青年教师奖”，2001年获厦门大学教师最高奖“南强奖”、福建省“运盛青年科技奖”，2002年获国务院专家特殊津贴、国家自然科学基金委杰出青年科学基金，2003年入选福建省“百千万人才工程”，2004年入选“新世纪百千万人才工程”国家级人选，2005年获教育部长江学者特聘教授，2015年获福建省自然科学奖一等奖（第一完成人） 吴玮 更新个人信息 个人简历：
博士(厦门大学，1990)
博士后(意大利比萨大学，1992-1994)
先后获得教育部高校青年教师奖、国家杰出青年科学基金、长江学者奖励计划特聘教授。 研究兴趣：
量子化学计算方法的发展；化学键本质；化学反应的理论研究。 近期主要代表论著：
- “Bonding Conundrums in the C2 Molecule: A Valence Bond Study”, P. Su, J. Wu, J. Gu, W. Wu, S. Shaik, P. C. Hiberty, J. Chem. Theor. Comput. In press.
- “VB Calculations on the Bimolecular (E2) Elimination Reaction. The Nature of the Transition State”, W. Wu, S. Shaik, H. W Saunders, J. Org. Chem. 2010, 75, 3722-3728.
- “Steric and Electronic Effects on the Heterolytic H2-Splitting by Phosphine-Boranes R3B/PR'3 (R=C6F5, Ph; R'=C6H2Me3, tBu, Ph, C6F5, Me, H): A Computational Study”, S. Gao, W. Wu, Y. Mo, Int. J. Quant. Chem. In press.
- “Multiple Low-Lying States for Compound I of P450cam and Chloroperoxidase Revealed from Multireference Ab Initio QM/MM Calculations”, H. Chen, J. Song, W. Lai, W. Wu, S. Shaik, J. Chem. Theor. Comput. 2010, 940-953.
- “An Excursion From Normal to Inverted C-C Bonds Shows A Clear Demarcation between Covalent and Charge-Shift C-C Bonds”, S. Shaik, Z. Chen, W. Wu, A. Stanger, D. Danovich, P. C. Hiberty, ChemPhysChem. 2009, 10, 2658-2669.
- “The B-H???H-P Dihydrogen Bonding in Ion-Pair Complexes [(CF3)3BH-][HPH3-n(Me)n+] (n=0-3) and Its Implication in H2 Elimination and Activation Reactions”, S. Gao, W. Wu, Y. Mo, J. Phys. Chem. A 2009, 113, 8108-8117.
- “Valence Bond Perturbation Theory. A Valence Bond Method that Incorporates Perturbation Theory”, Z. Chen, J. Song, S. Shaik, P. C. Hiberty, W. Wu, J. Phys. Chem. A 2009, 113, 11560-11569.
- “Is Cyclopropane Really the σ-Aromatic Paradigm?”, W. Wu, B. Ma, J. Wu, P. von R. Schleyer, Y. Mo, Chem. Euro. J. 2009, 15, 9730-9736.
- “New Concepts in Chemical Bonding: Charge-Shift Bonding and Its Manifestation in Chemistry”, S. Shaik, D. Danovich, W. Wu, P. C. Hiberty, Nature Chem. 2009, 1, 443-449.
- “Amine Oxidation by Cytochrome P450 – KIE as a Spin-State Reactivity Probe”, C. Li, W. Wu, K. B. Cho, S. Shaik, Chem. Euro. J. 2009, 15, 8492-8503.
- “Topology of Electron Charge Density. A Prospect from Valence Bond Theory”, L. Zhang, F. Ying, W. Wu, P. C. Hiberty, S. Shaik, Chem. Euro. J. 2009, 15, 2979-2989.
- “The Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond”, W. Wu, J. Gu, J. Song, S. Shaik, P. C. Hiberty, Angew. Chem. Int. Ed. 2009, 48, 1407-1410.
- “An Efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory”, L. Song, J. Song, Y. Mo, W. Wu, J. Comput. Chem. 2009, 30, 399-406.
- “The Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An ab initio Valence Bond Study”, J. Gu, Y. Lin, B. Ma, W. Wu, S. Shaik, J. Chem. Theory Comput. 2008, 4, 2101-2107.
- “A Valence Bond Approach Based on Lewis Structures”, Z. Chen, L. Song, J. Song, W. Wu, J. Theor. Comput. Chem. 2008, 7, 655-668.
- “A Valence Bond Study of the Low-Lying States of the NF Molecule”, P. Su, W. Wu, S. Shaik, P. C. Hiberty, ChemPhysChem, 2008, 9, 1442 – 1452.
- “VBSM: A Solvation Model Based on Valence Bond Theory”, P. Su, W. Wu, C. P. Kelly, C. J. Cramer, D. G. Truhlar, J. Phys. Chem. A, 2008, 112, 12761-12768.
- “Heterolytic Bond Dissociation in Water: Why for C4H9Cl But not for C3H9SiCl?”, P. Su, L. Song, W. Wu, S. Shaik, P. Hiberty, J. Phys. Chem. A, 2008, 112, 2988-2997.
- “Which Oxidant is Really Responsible for Sulfur Oxidation by Cytochrome P450?”, C. Li, L. Zhang, C. Zhang, H. Hirao, W. Wu, S. Shaik, Angew. Chem. Int. Ed. 2007, 46, 8168-8170.
- “The Menshutkin Reaction H3N + CH3Cl → H3NCH3+ + Cl- in the Gas Phase and in Aqueous Solution: A Valence Bond Study”, P. Su, F. Ying, W. Wu, P. C. Hiberty, S. Shaik, ChemPhysChem, 2007, 8, 2603-2614.
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发表于 2018-3-25 15:38:34
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