钚离子复合物中5f电子特性的理论研究

11204193
2012
A2101.原子分子结构、碰撞与谱学
杜际广
青年科学基金项目
副教授
四川大学
25万元
化学键;电子吸收光谱;电子密度拓扑分析方法;钚离子复合物;分子结构
2013-01-01到2015-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 A DFT insight on LnPu+ (L=C4H4, C5H5, C6H6; n=1-3) complexes: Interaction nature and electronic spectroscopy 期刊论文 Jiguang Du|Gang Jiang|
2 Au-doped carbon clusters AuC (n) with n=1-11: a theoretical investigation 期刊论文 Sun, Xiyuan|Du, Jiguang|Jiang, Gang|
3 Understanding the stability, bonding nature and chemical reactivity of 3d-substituted heterofullerenes C58TM (TM = Sc-Zn) from DFT studies 期刊论文 Du, Jiguang|Sun, Xiyuan|Chen, Jun|Jiang, Gang|
4 Adsorption of the Ir-4 cluster on single-wall carbon nanotubes: the zigzag types are more suitable 期刊论文 Du, Jiguang|Sun, Xiyuan|Jiang, Gang|
5 Exploring the Interaction Natures in Plutonyl (VI) Complexes with Topological Analyses of Electron Density 期刊论文 Jiguang Du|Xiyuan Sun|Gang Jiang|
6 Molecular Dynamics study on thermal properties of ThO2 doped with U and Pu in high temperature range 期刊论文 杜际广|
7 Geometric Transition and Electronic Properties of Titanium-Doped Aluminum Clusters: AlnTi (n=2-24) 期刊论文 Liu, Yiliang|Jiang, Gang|Du, Jiguang|Chen, Jun|
8 An icosahedral Ta-12 (2+) cluster with spherical aromaticity 期刊论文 Sun, Xiyuan|Chen, Jun|Zhang, Li|Jiang, Gang|
9 The binding of CO molecule with small W-n (n=2-9) clusters: a DFT investigation 期刊论文 Sun, Xiyuan|Du, Jiguang|
10 The influence of the composition of eight-atom Pt-Ir clusters on the magnetic properties 期刊论文 Long, Nengwen|Du, Jiguang|Jiang, Gang|
11 Molecular Dynamics study on thermal properties of ThO2 doped with U and Pu in high temperature range 期刊论文 Jiang-Jiang Ma|Ji-Guang Du|Ming-Jie Wan|Gang Jiang|
12 Molecular dynamical study of physical properties of (U0.75Pu0.25)O2？x 期刊论文 Minjie Wan|Jiguang Du|Jinwen Yang|Gang Jiang|
13 The binding of CO molecule with small W-n (n=2-9) clusters: a DFT investigation 期刊论文 Sun, Xiyuan|Du, Jiguang|
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