Recent advances in computational actinide chemistry
文献类型：期刊论文
| 作者 | Wang, Dongqi1,2; van Gunsteren, Wilfred F.1 |
| 刊名 | Progress in chemistry
 |
| 出版日期 | 2011-07-24 |
| 卷号 | 23期号:7页码:1566-1581 |
| 关键词 | Actinide elements Computational chemistry Density functional theory Ab initio methods |
| ISSN号 | 1005-281X |
| 通讯作者 | Wang, dongqi(wangd@igc.phys.chem.ethz.ch) |
| 英文摘要 | We briefly reviewed the recent advances in computational actinide chemistry during the past ten years. they cover two issues; the geometrical and electronic structures, and reactions. the former addresses the an-o and m-an (m is another metal atom including an) bonds in the actinide molecular systems, and the latter the hydration and ligand exchange, the disproportionation, the oxidation, the reduction of uranyl, hydroamination, and the photolysis of uranium azide. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; QUANTUM-CHEMICAL METHODS ; 1ST-PRINCIPLES MOLECULAR-DYNAMICS ; 2ND-ORDER PERTURBATION-THEORY ; ORDER REGULAR APPROXIMATION ; EFFECTIVE CORE POTENTIALS ; WATER EXCHANGE-REACTION ; ELEMENT-CHALCOGEN BOND ; GAS-PHASE REACTIONS ; MEAN-FIELD THEORY |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000293676100033 |
| 出版者 | CHINESE ACAD SCIENCES |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2176158 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Wang, Dongqi |
| 作者单位 | 1.ETH, Swiss Fed Inst Technol, Phys Chem Lab, CH-8093 Zurich, Switzerland 2.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Dongqi,van Gunsteren, Wilfred F.. Recent advances in computational actinide chemistry[J]. Progress in chemistry,2011,23(7):1566-1581. |
| APA | Wang, Dongqi,&van Gunsteren, Wilfred F..(2011).Recent advances in computational actinide chemistry.Progress in chemistry,23(7),1566-1581. |
| MLA | Wang, Dongqi,et al."Recent advances in computational actinide chemistry".Progress in chemistry 23.7(2011):1566-1581. |
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来源：高能物理研究所
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