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重元素/团簇[目录]

代表性文献

  1. 表现出单极性、双极性和三极性共价金属-金属键的钍(IV)-锑络合物, Nature Chemistry, 2024, DOI: 10.1038/s41557-024-01448-6
  2. 【国内课题组】具有二十面体结构的[Fe@Fe$_{12}$]$^{16+}$铁团簇的合成与计算化学研究, National Science Review, Volume 11, Issue 4, 2024, nwad327, DOI: 10.1093/nsr/nwad327
  3. 【苏州大学】混合价二金属富勒烯中形成的锕系-镧系单电子金属-金属键, Nature Communications, 2023, volume 14, Article number: 6637
  4. 【清华大学李隽教授课题组】多价s-嵌段元素:一个缺失的环节挑战了重元素的化学周期律, PNAS, 2023, 120,(43) e2303989120, DOI: 10.1073/pnas.2303989120
  5. Actinide inverse trans influence versus cooperative pushing from below and multi-center bonding, Nat. Comm. 2023, volume 14, Article number: 4307
  6. 【国内课题组】镧系元素中Am(VI)多酸盐的超滤分离, Nature, 2023, 616, 482–487
  7. An unusual spin-polarized electron state in fullerene induced by the carbon adatom defect, D. Xu, Y. Gao, W. Jiang and Z. Wang, Nanoscale, 2017, DOI: 10.1039/C7NR02335A.

其他

2024

  1. The influence of Hf (IV) metal chelation on the charge transfer and optoelectronic characteristics of Piceatannol as potential organic semiconductors: A theoretical study, Computational and Theoretical Chemistry, Volume 1235, May 2024, 114570, DOI: 10.1016/j.comptc.2024.114570
  2. 具有前所未有的Cu39超原子核的富电子铜纳米团簇结构/电子计数关系的DFT研究, Inorganica Chimica Acta Volume 565, 24 May 2024, 122001, DOI: 10.1016/j.ica.2024.122001
  3. 分子杂金属簇[Re$_{6−x}$MoxS$_8$L$_6$](x=2–3,L=py,etpy,tbp):x值对晶体结构的影响可以忽略不计, CrystEngComm, 2024, DOI: 10.1039/d3ce01229h

2023

  1. 【赵纪军教授课题组】巯基保护金纳米团簇的核心堆积相关振动性质及其激发态行为, Inorg. Chem., 2023, DOI: 10.1021/acs.inorgchem.3c03482
  2. Ultra Low Energy Nuclear Synthesis via Three-Body Resonances in Cuboctahedron CsH2Pd2 Cluster, Few-Body Systems, 2023, volume 64, Article number: 89
  3. 利用溶液$^{13}$C NMR 光谱定量铀酰-芳基络合物中的锕-碳键共价性, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c02440
  4. 金表面饱和N-杂环卡宾立体异构体反应性的变化, Inorg. Chem. Front., 2023, DOI: 10.1039/D3QI01541F
  5. 硝酸铀酰铷中铷位置的电场梯度和$^{85}$Rb和$^{87}$Rb的四极矩, Chemical Physics, 2023, DOI: 10.1016/j.chemphys.2023.112094
  6. 【赵纪军教授课题组】硫代保护金纳米团簇Au44(SR)32的理论预测和电子性质, Journal of Physics D: Applied Physics, 2023, DOI: 10.1088/1361-6463/acefdd
  7. 【国内课题组】U@Cs(4)-C82: A Different Cage Isomer with Reactivity Controlled by U-Sumanene Interaction, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c01764
  8. Synthesis, crystal structures, and luminescence properties of lanthanide(III) complexes with 1-(1H-benzimidazol-1yl-methyl)-1H-benzotriazole, Inorganica Chimica Acta, Volume 557, 2023, 121697, DOI: 10.1016/j.ica.2023.121697
  9. $Pt^{IV}$-Containing Hexaplatinate(II) [$Pt^{IV}Pt^{II}_6O_6(AsO_2(CH_3)_2)_6]^{2–}$ and Hexapalladate(II) [$Pt^{IV}Pd^{II}_6O_6(AsO_2(CH_3)_2)_6]^{2–}$, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c00832
  10. 相对论嵌入阻尼响应TDDFT计算Cs2UO2Cl4中铀酰的核激发, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c01302
  11. Unusual Actinyl Complexes with a Redox-Active N,S-Donor Ligand, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c00990
  12. 超重7p元素及其化合物在金表面吸附行为的理论研究及其与较轻同系物的比较, Physical Chemistry Chemical Physics, 2023, DOI: 10.1039/D3CP00856H
  13. 如何深入了解镧系元素系统的光学性质:从配体到配合物的计算, Pure and Applied Chemistry, 2023, DOI: 10.1515/pac-2023-0118
  14. Role of sulphur and oxygen in phosphine ligands in the extraction process of Am3+ over Eu3+ ions in water medium – A theoretical study, Journal of Molecular Liquids, 2023, DOI: 10.1016/j.molliq.2023.122035
  15. Intermediate Silver Doping of Au$_{25}$(SR)$_{18}$: Variation of Electronic, Optical, and Chiroptical Properties along Au$_{25–x}$Ag$_x$(SH)$_{18}^–$ (x = 0–12) Stoichiometry from DFT Calculations, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c00485
  16. Periodic Trends in the Stabilization of Actinyls in Their Higher Oxidation States Using Pyrrophen Ligands, Inorg. Chem. 2023, DOI: 10.1021/acs.inorgchem.3c00022
  17. 早期锕系化学中d和f轨道的相互作用:高自旋与低自旋, Inorganica Chimica Acta, 2023, DOI: 10.1016/j.ica.2023.121527
  18. Electronic Structure and Magneto-Structural Correlations Study of Cu2UL Trinuclear Schiff Base Complexes: A 3d–5f–3d Case, J. Phys. Chem. A 2023, 127, 6, 1475-1490
  19. 单金属和双金属UiO-66纳米催化剂上交叉偶联Aldol缩合反应的理论和实验研究, ACS Appl. Nano Mater. 2023, DOI: 10.1021/acsanm.2c05555
  20. 三环戊二烯基硫代铀(IV)配合物反应性的新见解-CS2和CO2插入和氧化还原性质, Journal of Organometallic Chemistry, 2023, DOI: 10.1016/j.jorganchem.2023.122692

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adf/heavyelements.txt · 最后更改: 2024/03/22 11:45 由 liu.jun

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