【21201106】水溶液中钚酰配合物的结构、稳定性和电子光谱的理论研究国家自然基金项目

水溶液中钚酰配合物的结构、稳定性和电子光谱的理论研究

项目批准号： 21201106

批准年份： 2012

学科分类： B0307.化学反应机制

项目负责人：苏静

资助类别：青年科学基金项目

负责人职称：研究员

依托单位：清华大学

资助金额： 25万元

关键词：耦合簇法;电子光谱;钚酰化合物;多参考从头算;结构和稳定性

起止时间： 2013-01-01到2015-12-31

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序号	标题	类型	作者
1	铀酰化合物激发态和电子光谱的理论研究	会议论文
2	Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4- and TcO4-	期刊论文	Xu Wen-Hua\|Xu Chao-Fei\|Schwarz W. H. E.\|Li Jun\|
3	Photoelectronof Gaseous Uranium Hexachlorides UCl6q？ (q = 0–2)	会议论文
4	Insights into the new Th (IV) sulfate fluoride complex: Synthesis, crystal structures, and temperature dependent spectroscopic properties	期刊论文	Wang Yanlong\|Wang Shuao\|Diwu Juan\|Liu Zhihong\|
5	Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions, Including a Topological Mass Factor	期刊论文	Su Jing\|Wei Fan\|Schwarz W. H. E.\|Li Jun\|
6	Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3- (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U-X Bonding	期刊论文	Xu Chao-Fei\|Huang Dao-Ling\|Wang Lai-Sheng\|Li Jun\|
7	Advances in computational actinide chemistry in China	期刊论文	Su Jing\|Wu Jingyi\|Li Jun\|Chai Zhifang\|
8	Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions, Including a Topological Mass Factor	期刊论文	Su, Jing\|Wei, Fan\|Schwarz, W.H.E.\|Li, Jun\|
9	Probing the electronic structures of low oxidation-state uranium fluoride molecules UFx- (x=2-4)	期刊论文	Lopez Gary V.\|Su Jing\|Li Jun\|Wang Lai-Sheng\|
10	首届中国锕系物理与化学学术交流会	会议论文
11	Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4？ and TcO4？	期刊论文	Xu Wen-Hua\|Xu Chao-Fei\|Schwarz W.H.E.\|Li Jun\|
12	Theoretical Studies on the Excited States and Luminescence Properties of Actinyl Compounds	会议论文
13	A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5- and UCl5	期刊论文	Xu Chao-Fei\|Huang Dao-Ling\|Wang Lai-Sheng\|Li Jun\|
14	Strong electron correlation in UO2-: A photoelectron spectroscopy and relativistic quantum chemistry study	期刊论文	Hu Han-Shi\|Cao Guo-Jin\|Li Jun\|Wang Lai-Sheng\|
15	Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q？ (q = 0–2)	期刊论文	Wei Fan\|Schwarz WHE\|Li Jun\|Wang Lai-Sheng\|
16	Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octavalent Pu Viable?	期刊论文	Xu, Wen-Hua\|Su, Jing\|Schwarz, W.H.E.\|Li, Jun\|
17	Theoretical studies on the complexation of uranyl with typical carboxylate and amidoximate ligands	期刊论文	Xu Chao-Fei\|Su Jing\|Xu Xiang\|Li Jun\|
18	On the Oxidation States of Metal Elements in MO3- (M = V, Nb, Ta, Db, Pr, Gd, Pa) Anions	期刊论文	Hu Shuxian\|Huang Wei\|Zhou Mingfei\|Li Jun\|
19	Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution	期刊论文	Su Jing\|Wang Zheming\|Pan Duoqiang\|Li Jun\|
20	A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5- and UCl5	期刊论文	Liu Hong-Tao\|Wei Fan\|Wang Lai-Sheng\|Li Jun\|
21	Theoretical Studies of the Electronic Structure andChemical Bonding in Uranium Penta-halide Complexes.	会议论文
22	A Joint Photoelectron Spectroscopy and Theoretical Study on Uranium Halide Complexes.	会议论文
23	锕酰离子与醋酸根的配合反应的理论研究	会议论文
24	Bonding nature of the actinide tetrafluorides AnF4 (An= Th-Cm)	期刊论文	Wang Chang-Ying\|Cheng Cheng\|Su Jing\|Huai Ping\|
25	Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octavalent Pu Viable?	期刊论文	Xu Wen-Hua\|Su Jing\|Schwarz W. H. E.\|Li Jun\|
26	Is Octavalent Pu(VIII) Possible? Mapping the Plutonium Oxyfluoride Series PuOnF8–2n (n=0–4)	期刊论文	Huang Wei\|Pyykkö Pekka\|Li Jun\|
27	第九届全国无机化学会议优秀墙报奖	奖励
28	Excited States and Luminescent Properties of UO2F2and Its Solvated Complexes in Aqueous Solution	会议论文
29	Theoretical studies on the coordinationstructures and electronic spectra of actinyl complexes	会议论文
30	Umbellate Distortions of the Uranyl Coordination Environment Result in a Stable and Porous Polycatenated Framework That Can Effectively Remove Cesium from Aqueous Solutions	期刊论文	Su Jing\|Chai Zhifang\|Albrecht-Schmitt Thomas\|Wang Shuao\|

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