标题:The ONIOM Method and Its Applications
作者:Chung, Lung Wa;Sameera, W. M. C.;Ramozzi, Romain;Page, Alister J.;Hatanaka, Miho;Petrova, Galina P.;Harris, Travis V.;Li, Xin;Ke
作者机构:South Univ Sci & Technol China, Dept Chem, Shenzhen 518055, Peoples R China;Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6
通讯作者:Morokuma, Keiji
通讯作者地址:[Morokuma, K]Kyoto Univ, Fukui Inst Fundamental Chem, 34-4 Takano Nishihiraki Cho, Kyoto 6068103, Japan.
来源:Chemical Reviews
出版年:2015
卷:115
期:12
页码:5678-5796
DOI:10.1021/cr5004419
摘要:The scientific review introduces the details of the original ONIOM method developed by the Morokuma group, while discussing and comparing latest improvements of the ONIOM method and alternative approaches. It presents an overview of the applications of the ONIOM method to seven important chemical, biological, and material systems, such as organic systems, inorganic compounds and homogeneous catalysis, heterogeneous catalysis, nanomaterials, excited states, solution chemistry, and biological macromolecules. The scientific review discusses the methods originally developed by Morokuma and coworkers to clearly present the original ideas and concepts of the IMOMM, IMOMO, and ONIOM methods.
收录类别:EI;SCIE
WOS核心被引频次:204
资源类型:期刊论文
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