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Probing the Electronic Structure and Chemical Bonding of Mono-Uranium Oxides with Different Oxidation States: UOx- and UOx (x=3-5) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 7, 页码: 1084—1096
Authors:  Su, J;  Li, WL;  Lopez, GV;  Jian, T;  Cao, GJ;  Li, WL;  Schwarz, WHE;  Wang, LS;  Li, J;  Li, J (reprint author), Tsinghua Univ, Dept Chem, Minist Educ, Beijing 100084, Peoples R China.;  Li, J (reprint author), Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China.;  Wang, LS (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA.;  Schwarz, WHE (reprint author), Univ Siegen, Phys & Theoret Chem, D-57068 Siegen, Germany.
View  |  Adobe PDF(1723Kb)  |  Favorite  |  View/Download:149/12  |  Submit date:2016/09/12
Relativistic Quantum-chemistry  Kohn-sham Orbitals  Infrared-spectra  Basis-sets  Gas-phase  Valence Indexes  Wave-functions  Photoelectron-spectroscopy  Excitation-energies  Spin-orbit  
Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q- (q=0-2) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 13, 页码: —
Authors:  Su, J;  Dau, PD;  Liu, HT;  Huang, DL;  Wei, F;  Schwarz, WHE;  Li, J;  Wang, LS
View  |  Adobe PDF(2269Kb)  |  Favorite  |  View/Download:122/26  |  Submit date:2015/12/09
Multiply-charged Anions  Multireference Perturbation-theory  2-electron Valence Indexes  Repulsive Coulomb Barrier  Reference Wave-functions  Kohn-sham Orbitals  Electronic-structure  Force-constants  Basis-sets  Internuclear Distances