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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:58/12  |  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 Spectra of the SO2F2- Anion in Solid Argon and Neon 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 38, 页码: 7723-7729
Authors:  Wei, R;  Chen, XT;  Gong, Y
View  |  Adobe PDF(2366Kb)  |  Favorite  |  View/Download:53/8  |  Submit date:2019/12/17
DENSITY-FUNCTIONAL THEORY  ION-MOLECULE REACTIONS  MATRIX-ISOLATION  THEORETICAL INVESTIGATIONS  VIBRATIONAL FREQUENCIES  POLYFLUORIDE ANIONS  SULFUR-FLUORIDE  RARE-GASES  COMPLEXES  THERMOCHEMISTRY  
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:90/20  |  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  
Infrared spectroscopic and theoretical study of the reactions of cerium atoms with methanol in solid argon 期刊论文
JOURNAL OF MOLECULAR SPECTROSCOPY, 2015, 卷号: 310, 页码: 50—56
Authors:  Li, YZ;  Gong, Y;  Zhou, XJ;  Su, J;  Li, J;  Zhou, MF
View  |  Adobe PDF(917Kb)  |  Favorite  |  View/Download:123/35  |  Submit date:2015/12/09
Lanthanide Metal Atoms  Gas-phase Reactions  Room-temperature Kinetics  Matrix-isolation  Reaction-products  Ground-state  La-lu  Density  Cations  Spectra