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基本信息
| 性别 | 男 |
| 中文名 | 徐昕 |
其他信息
| 研究兴趣 | 量子化学与计算化学 |
主要经历
代表论文
- "Antibody Catalysis of the Oxidation of Water"，with P. Wentworth, L.-H. Jones, A.-D. Wentworth, X.-Y. Zhu, W.-A. Goddard and R.-A. Lerner et al., Science, 2001, 293 , 1806.
- "Nitridation of Si(100)-2′1 Surface by NH3: A Quantum Chemical Cluster Model Study", with S.-Y. Kang and T. Yamabe, Phys. Rev. Lett., 2002, 88, 6106.
- "The Gas Phase Reaction of Singlet Dioxygen with Water: A Water-Catalyzed Mechanism"，with R.-P. Muller, and W.-A. Goddard, Proc. Natl. Acad. Sci. USA, 2002, 99, 2636.
- "Mechanism for Antibody Catalysis of the Oxidation of Water by Singlet Dioxygen"，with D. Datta, N. Vaidehi, and W.-A. Goddard, Proc. Natl. Acad. Sci. USA, 2002, 99, 3376.
- "Stability and Thermodynamics of the PtCl2 Type Catalyst for Activating Methane to Methanol: A Computational Study", with J. Hua, R.-A. Periana and W.-A. Goddard, Organometallics, 2002, 21, 511.
- "Possible Dissociative Adsorption of CH3OH and CH3NH2 on the Si(100)-2′1 Surface", with T. Kato, S.-Y. Kang, and T. Yamabe, J. Phys. Chem. B, 2001, 105, 10340.
- "On-Top Adsorption of Hydrogen at Platinum Electrodes: A Quantum Chemical Study", with D.-Y. Wu, B. Ren, H. Xian and Z.-Q. Tian, Chem. Phys. Lett.，1999, 311, 193.
- "Bonding of NO2 to the Au Atom and Au(111) Surface: A Quantum Chemical Study", with X. Lu, N.-Q. Wang, and Q.-E. Zhang, J. Phys. Chem. A, 1999, 103, 10969.
- "Chemisorption and Decomposition of NO on Magnesium Oxide: A Quantum Chemical Study", with X. Lu, N.-Q. Wang, and Q.-E. Zhang, J. Phys. Chem. B, 1999, 103, 5657.
- "N2O Decomposition on MgO and Li/MgO Catalysts", with X. Lu, N.-Q. Wang, and Q.-E. Zhang, J. Phys. B, 1999, 103, 3373.
- "CASSCF Study of Bonding in NiCO and FeCO", with X. Lu, N.-Q. Wang and Q.-E. Zhang, Int. J. Quantum Chem.，1999, 72, 221.
- "Cluster Modeling of Metal Oxides: Case Study of MgO and the CO/MgO Adsorption System", with H. Nakatsuji, X. Lu, M. Ehara, Y. Cai, N.-Q. Wang and Q.-E. Zhang, Theor. Chem. Acc., 1999, 102, 170.
- "Structural Properties of [(AuPH3)6Pt(H2)(PH3)]2+: Theoretical Study of Dihydrogen Activation", with Y.-Z. Yuan, K. Asakura, Y. Iwasawa, H.-L. Wan and K.-R. Tsai, Chem.. Phys. Lett, 1998, 286, 163.
- "SPC Cluster Modeling of Metal Oxides: Ways of Determining the Values of Point Charges in the Embedded Cluster", with H. Nakatsuji, M. Ehara, X. Lu, N.-Q. Wang and Q.-E. Zhang, Sci. China Ser. B，1998, 41, 113.
- "Cluster Modeling of Metal Oxides: the Influence of the Surrounding Point Charges on the Embedded Cluster", with H. Nakatsuji, M. Ehara, X. Lu, N. Wang, and Q. Zhang, Chem. Phys. Lett., 1998, 292, 282.
- "Chemisorption on Metal Surfaces: Cluster Studies", N.-Q. Wang, and Q.-E. Zhang, Bull. Chem. Soc. Jpn., 1995, 69, 529.
- "Charge Consistency Modeling of CO/NiO(100) Chemisorption System", with X. Lu, N.-Q. Wang and Q.-E. Zhang, Chem. Phys. Lett., 1995, 235, 541.
- "Studies on Cluster-Surface Analogy: Ab Initio Calculations for the CO/Cu Chemisorption System", with N.-Q. Wang, and Q.-E. Zhang, Surf. Sci., 1992, 274, 386.
参考资料
[1]
徐昕 - 中心成员简介 · 厦门大学理论化学研究中心[引用日期2022-02-22]
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