| 1 |
Probing the nature of gold-carbon bonding in gold-alkynyl complexes.
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期刊论文 |
Liu, Hong-Tao|Xiong, Xiao-Gen|Dau, Phuong Diem|Wang, Yi-Lei|Huang, Dao-Ling|Li, Jun|Wang, Lai-Sheng| |
| 2 |
Excited States and Absorption Spectra of UF6 : A RASPT2 Theoretical Study with Spin – Orbit Coupling
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期刊论文 |
F Wei|GS Wu|WHE Schwarz|J Li| |
| 3 |
Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octavalent Pu Viable?
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期刊论文 |
Huang, Wei|Xu, Wen-Hua|Su, Jing|Schwarz, W H E|Li, Jun| |
| 4 |
The electronic structure and chemical bonding in gold dihydride: AuH 2- and AuH2
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期刊论文 |
Liu, Hong-Tao1|Wang, Yi-Lei2|Xiong, Xiao-Gen2|Dau, Phuong Diem1|Piazza, Zachary A.1|Huang, Dao-Ling1|Xu, Cong-Qiao2|Li, Jun2|Wang, Lai-Sheng1| |
| 5 |
On Two Different Objectives of the Concepts of Ionic Radii
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期刊论文 |
JB Liu|WH Schwarz|J Li| |
| 6 |
Theoretical Studies of Structure and Dynamics of Molten Salts: The LiF-ThF4 System
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期刊论文 |
Liu, Jian-Biao|Chen, Xin|Qiu, Yi-Heng|Xu, Chao-Fei|Schwarz, W. H. Eugen|Li, Jun| |
| 7 |
Ultrathin rhodium nanosheets
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期刊论文 |
Hu, Han-Shi|Rong, Hongpan|Niu, Zhiqiang|Mao, Junjie|Asakura, Hiroyuki|Tanaka, Tsunehiro|Dyson, Paul Joseph|Li, Jun|Li, Yadong| |
| 8 |
A Tetrapositive Metal Ion in the Gas Phase : Thorium ( IV ) Coordinated by Neutral Tridentate Ligands
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期刊论文 |
Y Gong|HS Hu|G Tian|L Rao|J Li...| |
| 9 |
A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5? and UCl5
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期刊论文 |
J Su|PD Dau|CF Xu|DL Huang|HT Liu...| |
| 10 |
[B-30](-): A Quasiplanar Chiral Boron Cluster
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期刊论文 |
Li, Wei-Li|Zhao, Ya-Fan|Hu, Han-Shi|Li, Jun|Wang, Lai-Sheng| |
| 11 |
Experimental and Theoretical Studies on the Fragmentation of Gas - Phase Uranyl–, Neptunyl–, and Plutonyl–Diglycolamide Complexes
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期刊论文 |
Y Gong|HS Hu|L Rao|J Li...| |
| 12 |
Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4 – and TcO4–
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期刊论文 |
J Su|WH Xu|CF Xu|WHE Schwarz|J Li| |
| 13 |
... - Glycine - Water Complexes in Solution : Comprehensive Computational Modeling of Coordination Geometries , Stabilization Energies , and Luminescence Properties
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期刊论文 |
J Su|K Zhang|WHE Schwarz|J Li| |
| 14 |
Quadruple boding of carbon in terminal carbides
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期刊论文 |
Y.-H. Qiu|H.-S. Hu|G. Chen|J. Li| |
| 15 |
Theoretical Study of Syngas Hydrogenation to Methanol on the Polar Zn-Terminated ZnO(0001) Surface
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期刊论文 |
Zhao, Ya-Fan|Rousseau, Roger|Li, Jun|Mei, Donghai| |
| 16 |
DFT+U Study on the Localized Electronic States and Their Potential Role During H2O Dissociation and CO Oxidation Processes on CeO2(111) Surface
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期刊论文 |
Wang, Yang-Gang|Mei, Donghai|Li, Jun|Rousseau, Roger| |
| 17 |
Aspects of bonding in small gold clusters
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期刊论文 |
XG Xiong|WH Xu|J Li|P Pyykk?| |
| 18 |
Planar Hexagonal B36 As A Potential Basis for Extended Single-Atom Layer Boron Sheets
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期刊论文 |
Z. A. Piazza|H.-S. Hu|W.-L. Li|Y.-F. Zhao|J. Li|L.-S. Wang| |
| 19 |
Theoretical Study of the Luminescent States and Electronic Spectra of UO2Cl2 in an Argon Matrix
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期刊论文 |
Su, Jing|Wang, Yi-Lei|Wei, Fan|Schwarz, W. H. E.|Li, Jun| |
| 20 |
Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir ( 111 )
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期刊论文 |
PX Zhang|YG Wang|YQ Huang|T Zhang|GS Wu|J Li| |
| 21 |
Electronic Spectra and Excited States of Neptunyl and Its [NpO2Cl4](2-) Complex
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期刊论文 |
Su, Jing|Schwarz, W. H. E.|Li, Jun| |
| 22 |
Trivalent Actinide and Lanthanide Separations by Tetradentate Nitrogen Ligands: A Quantum Chemistry Study
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期刊论文 |
Lan, Jian-Hui|Shi, Wei-Qun|Yuan, Li-Yong|Zhao, Yu-Liang|Li, Jun|Chai, Zhi-Fang| |
| 23 |
锕系化合物荧光光谱理论研究进展
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期刊论文 |
苏静|李隽| |
| 24 |
Photoelectron spectroscopy and the electronic structure of the uranyl tetrachloride dianion: UO2Cl42-
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期刊论文 |
Dau, Phuong Diem1|Su, Jing2|Liu, Hong-Tao1|Huang, Dao-Ling1|Li, Jun2|Wang, Lai-Sheng1| |
| 25 |
Probing the electronic structures of low oxidation-state uranium fluoride molecules UFx (-) (x = 2-4).
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期刊论文 |
Li, Wei-Li|Hu, Han-Shi|Jian, Tian|Lopez, Gary V|Su, Jing|Li, Jun|Wang, Lai-Sheng| |
| 26 |
Identification of an iridium-containing compound with a formal oxidation state of IX
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期刊论文 |
Wang, Guanjun|Zhou, Mingfei|Goettel, James T.|Schrobilgen, Gary J.|Su, Jing|Li, Jun|Schloeder, Tobias|Riedel, Sebastian| |
| 27 |
The mixed cyanide halide Au ( i ) complexes ,?( X = F , Cl , Br , and I ): evolution from ionic to covalent bonding
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期刊论文 |
HT Liu|XG Xiong|PD Dau|YL Wang|J Li...| |
| 28 |
Strong electron correlation in UO2-: A photoelectron spectroscopy and relativistic quantum chemistry study
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期刊论文 |
Li, Wei-Li|Su, Jing|Jian, Tian|Lopez, Gary V.|Hu, Han-Shi|Cao, Guo-Jin|Li, Jun|Wang, Lai-Sheng| |
| 29 |
Geometries , electronic structures , and excited states of UN2, NUO+, and UO 2 2+: a combined CCSD (T), RAS/CASPT2 and TDDFT study
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期刊论文 |
F Wei|G Wu|WHE Schwarz|J Li| |
| 30 |
Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions , Including a Topological Mass Factor §
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期刊论文 |
J Su|F Wei|WHE Schwarz|J Li| |
| 31 |
Rare-earth monocarbonyls MCO: Comprehensive infrared observations and a transparent theoretical interpretation for M = Sc; Y; La-Lu
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期刊论文 |
Xu, Wenhua1|Jin, Xi2|Chen, Mohua2|Pyykkö, Pekka1, 3|Zhou, Mingfei2|Li, Jun1| |
| 32 |
On the maximum bond multiplicity of carbon: Unusual CU quadruple bonding in molecular CUO
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期刊论文 |
Hu, Han-Shi1, 2|Qiu, Yi-Heng1|Xiong, Xiao-Gen1|Schwarz, W. H. Eugen1|Li, Jun1| |
| 33 |
Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution
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期刊论文 |
Su, Jing|Wang, Zheming|Pan, Duoqiang|Li, Jun| |
| 34 |
Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O
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期刊论文 |
Zhao, Ya-Fan|Yang, Yong|Mims, Charles|Peden, Charles H. F.|Li, Jun|Mei, Donghai| |
| 35 |
Actinide-Silicon Multiradical Bonding: Infrared Spectra and Electronic Structures of the Si(mu-X)AnF3 (An = Th, U; X = H, F) Molecules.
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期刊论文 |
Hu, Han-Shi|Wei, Fan|Wang, Xuefeng|Andrews, Lester|Li, Jun| |
| 36 |
Photocatalysis with visible - light - active uranyl complexes
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期刊论文 |
Y Li|J Su|E Mitchell|GQ Zhang|J Li| |
| 37 |
Photoelectron spectroscopy and theoretical studies of UF5 - and UF6-
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期刊论文 |
Dau, Phuong Diem1|Su, Jing2|Liu, Hong-Tao1|Huang, Dao-Ling1|Wei, Fan2|Li, Jun2|Wang, Lai-Sheng1| |
| 38 |
Theoretical studies on the complexation of uranyl with typical carboxylate and amidoximate ligands
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期刊论文 |
CF Xu|J Su|X Xu|J Li| |
| 39 |
Observation and investigation of the uranyl tetrafluoride dianion (UO 2F42-) and its solvation complexes with water and acetonitrile
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期刊论文 |
Dau, Phuong Diem1|Su, Jing2|Liu, Hong-Tao1|Liu, Jian-Biao2|Huang, Dao-Ling1|Li, Jun2|Wang, Lai-Sheng1| |
| 40 |
Probing the electronic structure and chemical bonding of the “ staple ” motifs of thiolate gold nanoparticles : Au ( SCH3 ) 2 ? and Au2 ( SCH3 ) 3 ?
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期刊论文 |
CG Ning|XG Xiong|YL Wang|J Li...| |
| 41 |
Infrared spectroscopic and theoretical study of the reactions of cerium atoms with methanol in solid argon
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期刊论文 |
李隽|Yuzhen Li, Yu Gong, Xiaojie Zhou, Jing Su, Jun Li*| |
| 42 |
Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process
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期刊论文 |
Lan, Jian-Hui|Shi, Wei-Qun|Yuan, Li-Yong|Li, Jun|Zhao, Yu-Liang|Chai, Zhi-Fang| |
| 43 |
The Role of Reducible Oxide-Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab Initio Molecular Dynamics
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期刊论文 |
Wang, Yang-Gang|Yoon, Yeohoon|Glezakou, Vassiliki-Alexandra|Li, Jun|Rousseau, Roger| |
| 44 |
Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3–(X= F, Cl, Br, I): Competition between Coulomb Repulsion and U– ...
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期刊论文 |
J Su|PD Dau|YH Qiu|HT Liu|CF Xu...| |
| 45 |
The electronic structure and chemical bonding in gold dihydride: AuH 2- and AuH2
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期刊论文 |
Liu, Hong-Tao1|Wang, Yi-Lei2|Xiong, Xiao-Gen2|Dau, Phuong Diem1|Piazza, Zachary A.1|Huang, Dao-Ling1|Xu, Cong-Qiao2|Li, Jun2|Wang, Lai-Sheng1| |
