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Probing the Hydrogen Bonding in Microsolvated Clusters of Au-1,2(-)(Solv)(n) (Solv = C2H5OH, n-C3H7OH; n=1-3 for Au-; n=1 for Au-2(-)) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5590-5598
Authors:  Wang, YT;  Han, CC;  Fei, ZJ;  Dong, CW;  Liu, HT
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QUADRATIC CONFIGURATION-INTERACTION  GENERALIZED GRADIENT APPROXIMATION  VAPOR-PHASE HYDROCHLORINATION  CATALYTIC-ACTIVITY  CO OXIDATION  PHOTOELECTRON-SPECTROSCOPY  DENSITY FUNCTIONALS  AEROBIC OXIDATION  CARBON-DIOXIDE  BASIS-SETS  
High-Resolution Photoelectron Imaging and Photodetachment Spectroscopy of Cryogenically Cooled IO- 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 28, 页码: 5720-5726
Authors:  Wang, YT;  Ning, CG;  Liu, HT;  Wang, LS
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DIPOLE-BOUND STATES  ELECTRON RESONANCE-SPECTRA  LASER-INDUCED FLUORESCENCE  MULTIPLY-CHARGED ANIONS  AUTODETACHMENT SPECTROSCOPY  PHYSICAL-PROPERTIES  EXCITED-STATES  IODINE OXIDE  BRO  PHOTODISSOCIATION  
Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN](-): Spin-Orbit Coupling and Low-Lying Excited States 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 23, 页码: 4712-4719
Authors:  Xiong, XG;  Liu, HT
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CORRELATED MOLECULAR CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  GAUSSIAN-BASIS SETS  GOLD CHEMISTRY  VALENCE INDEXES  ELECTRONIC-STRUCTURE  STATISTICAL AVERAGE  PERTURBATION-THEORY  BOND ORDER  
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
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ORDER REGULAR APPROXIMATION  ABLATED U ATOMS  INFRARED-SPECTRA  TRIPLE EXCITATIONS  BASIS-SETS  CHEMISTRY  CYANIDE  THORIUM  COORDINATION  U(NC)(2)  
Bidentate SO2 Complexes of Zirconium and Hafnium Difluorides with Highly Activated S-O Bonds 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 44, 页码: 9567-9572
Authors:  Wei, R;  Chen, XT;  Gong, Y
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MATRIX INFRARED-SPECTRA  SULFUR-DIOXIDE  SURFACE-CHEMISTRY  BASIS-SET  GROUP-IV  METAL  ADSORPTION  SINGLE  LANTHANIDE  GROUP-4  
Infrared Spectroscopic and Theoretical Studies of Group 3 Metal Isocyanide Molecules 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 35, 页码: 7099-7106
Authors:  Chen, XT;  Li, QNA;  Andrews, L;  Gong, Y
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DENSITY-FUNCTIONAL CALCULATIONS  PURE ROTATIONAL SPECTRUM  GAUSSIAN-BASIS SETS  DFT CALCULATIONS  SOLID ARGON  MATRIX PREPARATION  TRANSITION-METALS  WAVE-FUNCTIONS  MH4-M  ATOMS  
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
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DENSITY-FUNCTIONAL THEORY  ION-MOLECULE REACTIONS  MATRIX-ISOLATION  THEORETICAL INVESTIGATIONS  VIBRATIONAL FREQUENCIES  POLYFLUORIDE ANIONS  SULFUR-FLUORIDE  RARE-GASES  COMPLEXES  THERMOCHEMISTRY  
Reactions of Laser-Ablated Aluminum Atoms with Cyanogen: Matrix Infrared Spectra and Electronic Structure Calculations for Aluminum Isocyanides Al(NC)(1,2,3) and Their Novel Dimers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 24, 页码: 5342-5353
Authors:  Andrews, L;  Cho, HG;  Gong, Y
Adobe PDF(8273Kb)  |  Favorite  |  View/Download:37/1  |  Submit date:2019/12/17
DENSITY-FUNCTIONAL THEORY  AB-INITIO  THEORETICAL INVESTIGATIONS  SOLID HYDROGEN  BASIS-SETS  AL  COMPLEXES  FREQUENCIES  MOLECULES  GA  
Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 49, 页码: 9429-9434
Authors:  Chen, XT;  Li, QN;  Gong, Y
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MOLECULAR-ORBITAL METHODS  BASIS-SETS  NITRATE COMPLEXATION  ACTINIDE SEPARATIONS  SOLVENT-EXTRACTION  METAL-ION  DISSOCIATION  ELEMENTS  LIGANDS  AM  
Matrix Infrared Spectra of Manganese and Iron Isocyanide Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8835-8842
Authors:  Chen, XT;  Li, QNA;  Andrews, L;  Gong, Y
Adobe PDF(602Kb)  |  Favorite  |  View/Download:95/16  |  Submit date:2018/08/30
Density-functional Calculations  Electronic Ground-state  Gaussian-basis Sets  Molecular Calculations  Transition-metals  Hydrogen-cyanide  Solid Argon  Atoms  Fenc  Fecn