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Recent advances in computational actinoid chemistry
Wang DQ(王东琪); Wang, DQ; 柴之芳;van Gunsteren, WF; Chai, ZF
刊名CHEMICAL SOCIETY REVIEWS
2012
卷号41期号:17页码:5836-5865
学科分类Chemistry
DOI10.1039/c2cs15354h
英文摘要We briefly review advances in computational actinoid (An) chemistry during the past ten years in regard to two issues: the geometrical and electronic structures, and reactions. The former addresses the An-O, An-C, and M-An (M is a metal atom including An) bonds in the actinoid molecular systems, including actinoid oxo and oxide species, actinoid-carbenoid, dinuclear and diatomic systems, and the latter the hydration and ligand exchange, the disproportionation, the oxidation, the reduction of uranyl, hydroamination, and the photolysis of uranium azide. Concerning their relevance to the electronic structures and reactions of actinoids and their importance in the development of an advanced nuclear fuel cycle, we also mentioned the work on actinoid carbides and nitrides, which have been proposed to be candidates of the next generation of nuclear fuel, and the oxidation of PuOx, which is important to understand the speciation of actinoids in the environment, followed by a brief discussion on the urgent need for a heavier involvement of computational actinoid chemistry in developing advanced reprocessing protocols of spent nuclear fuel. The paper is concluded with an outlook.
收录类别SCI
WOS记录号WOS:000307225800015
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被引频次:59[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/224269
专题院士_期刊论文
中国科学院高能物理研究所_多学科研究中心
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GB/T 7714
Wang DQ,Wang, DQ,柴之芳;van Gunsteren, WF,et al. Recent advances in computational actinoid chemistry[J]. CHEMICAL SOCIETY REVIEWS,2012,41(17):5836-5865.
APA 王东琪,Wang, DQ,柴之芳;van Gunsteren, WF,&Chai, ZF.(2012).Recent advances in computational actinoid chemistry.CHEMICAL SOCIETY REVIEWS,41(17),5836-5865.
MLA 王东琪,et al."Recent advances in computational actinoid chemistry".CHEMICAL SOCIETY REVIEWS 41.17(2012):5836-5865.
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