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Formation of Cerium and Neodymium Isocyanides in the Reactions of Cyanogen with Ce and Nd Atoms in Argon Matrices 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 38, 页码: 8208-8219
Authors:  Fang, ZT;  Vasiliu, M;  Chen, XT;  Gong, Y;  Andrews, L;  Dixon, DA
View  |  Adobe PDF(884Kb)  |  Favorite  |  View/Download:38/9  |  Submit date:2020/10/16
ORDER REGULAR APPROXIMATION  ABLATED U ATOMS  INFRARED-SPECTRA  TRIPLE EXCITATIONS  BASIS-SETS  CHEMISTRY  CYANIDE  THORIUM  COORDINATION  U(NC)(2)  
Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810
Authors:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L;  Gong, Y
View  |  Adobe PDF(2531Kb)  |  Favorite  |  View/Download:56/11  |  Submit date:2020/10/16
DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY  
Infrared Spectroscopic and Theoretical Studies on the OMF2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 40, 页码: 7603-7612
Authors:  Wei, R;  Li, QN;  Gong, Y;  Andrews, L;  Fang, ZT;  Thanthiriwatte, KS;  Vasiliu, M;  Dixon, DA
View  |  Adobe PDF(1794Kb)  |  Favorite  |  View/Download:89/19  |  Submit date:2018/08/30
Coupled-cluster Theory  Chromyl Fluoride  Matrix-isolation  Oxide Tetrafluoride  Triple Excitations  Oxygen Difluoride  Quantum-chemistry  Oxidation-state  Wave-functions  Atoms