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题名: The ONIOM Method and Its Applications
作者: 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;  Li, Hai-Bei9;  Ding, Lina10;  Morokuma, Keiji2
刊名: CHEMICAL REVIEWS
发表日期: 2015-06-24
DOI: 10.1021/cr5004419
卷: 115, 期:12, 页:5678-5796
收录类别: SCI
文章类型: Review
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
语种: 英语
WOS记录号: WOS:000357064000004
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146343
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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