The ONIOM Method and Its Applications | |
Chung, Lung Wa1; Sameera, W. M. C.2; Ramozzi, Romain2; Page, Alister J.3; Hatanaka, Miho2; Petrova, Galina P.4; Harris, Travis V.2,5; Li, Xin6; Ke, Zhuofeng7; Liu, Fengyi8 | |
刊名 | chemical reviews |
2015-06-24 | |
卷号 | 115期号:12页码:5678-5796 |
WOS标题词 | science & technology ; physical sciences |
类目[WOS] | chemistry, multidisciplinary |
研究领域[WOS] | chemistry |
关键词[WOS] | density-functional-theory ; walled carbon nanotubes ; molecular-dynamics simulations ; quantum mechanics/molecular mechanics ; ab-initio qm/mm ; potential-energy surfaces ; bond-dissociation enthalpies ; diels-alder reactions ; electronic-structure calculations ; intramolecular proton-transfer |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000357064000004 |
公开日期 | 2016-05-09 |
内容类型 | 期刊论文 |
源URL | [http://cas-ir.dicp.ac.cn/handle/321008/146343] |
专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
作者单位 | 1.South Univ Sci & Technol China, Dept Chem, Shenzhen 518055, Peoples R China 2.Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan 3.Univ Newcastle, Newcastle Inst Energy & Resources, Callaghan, NSW 2308, Australia 4.Univ Sofia, Fac Chem & Pharm, Sofia 1164, Bulgaria 5.SUNY Coll Oswego, Dept Chem, Oswego, NY 13126 USA 6.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 7.Sun Yat Sen Univ, Sch Chem & Chem Engn, Guangzhou 510275, Guangdong, Peoples R China 8.Shaanxi Normal Univ, Sch Chem & Chem Engn, Key Lab Macromol Sci Shaanxi Prov, Xian 710119, Shaanxi, Peoples R China 9.Shandong Univ, Sch Ocean, Weihai 264209, Peoples R China 10.Zhengzhou Univ, Sch Pharmaceut Sci, Zhengzhou 450001, Henan, Peoples R China |
推荐引用方式 GB/T 7714 | Chung, Lung Wa,Sameera, W. M. C.,Ramozzi, Romain,et al. The ONIOM Method and Its Applications[J]. chemical reviews,2015,115(12):5678-5796. |
APA | Chung, Lung Wa.,Sameera, W. M. C..,Ramozzi, Romain.,Page, Alister J..,Hatanaka, Miho.,...&Morokuma, Keiji.(2015).The ONIOM Method and Its Applications.chemical reviews,115(12),5678-5796. |
MLA | Chung, Lung Wa,et al."The ONIOM Method and Its Applications".chemical reviews 115.12(2015):5678-5796. |
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