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曹泽星，厦门大学教授。男，1962年12月生于湖南省安乡县，现任厦门大学化学系研究员、博士生导师、固体表面物理化学国家重点实验室创新研究群体成员。1993年6月毕业于四川大学化学系，获博士学位。1993年7月分配到湖南师范大学化学系任教，1995年12月进入厦门大学化学博士后流动站，1997年11月出站后留校工作。1999年2月至2000年1月在美国Texas A&M大学做合作研究，2000年获德国洪堡研究基金于2000年2月至2001年1月在德国波恩大学做合作研究。2001年被晋升为研究员，2002年被评为博土生导师并入选教育部跨世纪优秀人才培养计划。 曹泽星 更新个人信息 个人简历：
博士（四川大学，1993）
博士后（厦门大学化学化工学院）
研究助理（Texas A&M大学化学系）
洪堡学者（Bonn大学物理与理论化学研究所）
J. Theory Comput. Chem. 副主编(2007-)
入选教育部跨世纪人才计划(2002)
中国高校自然科学一等奖（第四完成人） 研究兴趣：
理论与计算化学，包括分子激发态、分子光谱与光化学；无机与金属有机化学反应机理；复杂体系计算方法与生物相关体系计算模拟；计算材料学。 近期主要代表论著：
- “A Proton-Shuttle Reaction Mechanism for Histone Deacetylase 8 and the Catalytic Role of Metal Ions ”, R.-B. Wu, S.-L. Wang, N.-J. Zhou, Z.-X. Cao, Y.-K. Zhang*, J. Am. Chem. Soc. 2010, 132, 9471-9479.
- “A Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab Initio QM/MM Molecular Dynamics Study ”, R.-B. Wu, P. Hu, S.-L. Wang, Z.-X. Cao, Y.-K. Zhang*, J. Chem. Theory Comput. 2010, 6, 337-343.
- “Structural and electronic properties of the fully hydrogenated boron nitride sheets and nanoribbons: Insight from first-principles calculations”, S.-B. Tang, Z.-X. Cao*, Phys. Chem. Chem. Phys. 2010, 12, 32313-2320.
- “Theoretical studies on structures and electronic spectra of linear HC2n+1H+ (n=2-7) ”, J.-L. Zhang, X.-G. Guo, Z.-X. Cao*, Int. J. Mass Spectr. 2010, 290, 113-119.
- “Structural and electronic properties of the fully hydrogenated boron nitride sheets and nanoribbons: Insight from first-principles calculations”, S.-B. Tang, Z.-X. Cao*, Chem. Phys. Lett. 2010, 488, 67-72
- “Defect-induced chemisorption of nitrogen oxides on (10,0) single-walled carbon nanotubes: Insights from density functional calculations”, S.-B. Tang, Z.-X. Cao*, J. Chem. Phys. 2009, 131, 144307
- “Selective Synthesis of Osmanaphthalene and Osmanaphthalyne via Intramolecular C-H Activation”, B. Liu, H.-J. Xie, H.-J. Wang, L.-Q. Wang, Q.-Y. Zhao, J.-X. Chen, T.-B. Wen, Z.-X. Cao*, H.-P. Xia*, Angew. Chem. Int. Ed. 2009, 48, 5461-5464.
- “Osmapyridine and Osmapyridinium from a Formal [4+2] Cycloaddition Reaction”, B. Liu, H.-J. Wang, H.-J .Xie, B.-R. Zeng, J.-X. Chen, J. Tao, T.-B. Wen, Z.-X. Cao, H.-P. Xia*, Angew. Chem. Int. Ed. 2009, 48, 5430-5434.
- “Theoretical study on the dual fluorescence of 2-(4-cyanophenyl)-N,N-dimethylaminoethane and its deactivation pathway”, X. Chen, Y. Zhao, Z.-X. Cao*, J. Chem. Phys. 2009, 130, 144307
- “Functional Role of Asp160 and the Deprotonation Mechanism of Ammonium in the Escherichia coli Ammonia Channel Protein AmtB”, Y.C. Lin, Z.X. Cao*, Y.R. Mo*, J. Phys. Chem. B 2009, 113, 4922-4929
- “Broad Substrate Specificity and Catalytic Mechanism of Pseudomonas stutzeri L-Rhamnose Isomerase: Insights from QM/MM Molecular Dynamics Simulations”, R.-B. Wu, H.-J. Xie, Y.-R. Mo*, Z.-X. Cao*, J. Phys. Chem. A 2009, 113, 11595-11603
- “Electronic spectra of the linear polyyne cations HC2nH+ (n=2-8): An ab initio study”, J.-L. Zhang, X.-G. Guo, Z.-X. Cao*, J. Chem. Phys. 2009, 131, 144307
- “Combined quantum mechanics/molecular mechanics study on the reversible isomerization of glucose and fructose catalyzed by Pyrococcus furiosus phosphoglucose isomerase”, R.-B. Wu, H.-J. Xie, Z.-X. Cao*, Y.-R. Mo, J. Am. Chem. Soc. 2008, 130, 7022-7031.
- “Exploring the interstitial atom in the FeMo cofactor of nitrogenase: Insights from QM and QM/MM calculations”, H.-J. Xie, R.-B. Wu, Z.-H. Zhou, Z.-X. Cao*, J. Phys. Chem. B 2008, 112, 11435-11439
- “Effects of Electron Attachment on C5'-O5' and C1'-N1 Bond Cleavages of Pyrimidine Nucleotides: A Theoretical Study”, H.-J. Xie, R.-B. Wu, F. Xia, Z.-X. Cao*, J. Comput. Chem. 2008, 29, 2025-2032
- “Zigzag boron-carbon nanotubes with quasi-planar tetracoordinate carbons”, C.-J. Zhang, W.-X. Sun, Z.-X. Cao*, J. Am. Chem. Soc. 2008, 130, 5638-5639
- “QM/MM Study of Catalytic Methyl Transfer by the N5-Glutamine SAM-Dependent Methyltransferase and Its Inhibition by the Nitrogen Analogue of Coenzyme”, R.-B. Wu, Z.-X. Cao*, J. Comput. Chem. 2008, 29, 350-357.
- “What definitively controls the photochemical activity of methylbenzonitriles and methylanisoles? Insights from theory”, X.-F. Xu, Z.-X. Cao*, Q.-E. Zhang, J. Phys. Chem. A 2007, 111, 5775-5783.
- “Theoretical Study on the Singlet Excited State of Pterin and Its Deactivation Pathway”, X. Chen, X.-F. Xu, Z.-X. Cao*, J. Phys. Chem. A 2007, 111, 9255-9262.
- “Deprotonation Mechanism of NH4+ in the Escherichia coli Ammonium Transporter AmtB: Insights from QM and QM/MM Calculations”, Z.-X. Cao*, Y.-R. Mo*, W. Thiel, Angew. Chem. Int. Ed.. 2007, 46, 6811-6815
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发表于 2018-3-25 15:40:35
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