侯华 - 武汉大学 - 化学与分子科学学院

研究领域

理论计算化学主要研究方向为理论/计算化学 (主要用高水平ab initio 方法来研究大气化学及燃烧化学中的快速自由基反应; 探索和研究含有过渡金属的纳米催化材料)。

近期论文

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" A systematic computational study of the reactions of RO2+HO2", H. Hou, B. Wang, J. Phys.Chem., 2005, 109, 451. “A computational study of the geometry and properties of metcars Ti8C12 and Mo8C12, H. Hou, J. T. Muckerman, J. Phys. Chem. A, 2003, 107, 9344. "Highest level ab initio electronic structure of the met-car Ti8C12 and its complexes with water and ammonia", J. T. Muckerman, H. Hou, Nanocenter Workshop, BNL, 2002, 12. "Ab initio calculations of the geometry and electronic properties of the met-car Ti8C12", H. Hou, International Workshop on Electron-Phonon Effects in Nanosystems, 2002. “Reaction Mechanism and Kinetics for the F + CH2CO reaction”, H. Hou, S. Wang, B. Wang, Y. Gu, Chemical J. of Chinese Universities, 2002, 23, 1131-1133. "Decomposition and isomerization of the CH3CHClO radical: ab initio and RRKM study", H. Hou, B. Wang, Y. Gu, J. Phys. Chem. A, 2000, 104(7), 1570-1575. "Ab initio mechanism and multichannel RRKM-TST rate constant for the reaction of Cl(2P) with CH2CO (ketene)", H. Hou, B. Wang, Y. Gu, J. Phys. Chem. A, 2000, 104(2), 320-328. "Ab initio and RRKM studies of the unimolecular reactions of the CH2XCHFO (X = H, F) radicals", H. Hou, B. Wang, Y. Gu, Phys. Chem. Chem. Phys., 2000, 2(1), 61-65. “Mechanism of the OH + CH2CO reaction", H. Hou, B. Wang, Y. Gu, Phys. Chem. Chem. Phys., 2000, 2(10), 2329-2334. "Theoretical study of the reaction of CH3C with N2", H. Hou, B. Wang, Y. Gu, Phys. Chem. Chem. Phys., 2000, 2(24), 5560-5565. "The attractive quartet potential energy surface for the CH3C(a4A2)+CO reaction", H. Hou, B. Wang, Y. Gu, Chem. Phys., 2000, 252(1/2), 17-23. "Theoretical investigation of the O(3P)+CHX2(X=F, Cl) reactions", H. Hou, B. Wang, Y. Gu, J. Phys. Chem. A, 1999, 103(40), 8075-8081.