CAS OpenIR

Browse/Search Results:  1-4 of 4 Help

Selected(0)Clear Items/Page:    Sort:
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
View  |  Adobe PDF(1612Kb)  |  Favorite  |  View/Download:2/0  |  Submit date:2021/09/06
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
View  |  Adobe PDF(884Kb)  |  Favorite  |  View/Download:17/4  |  Submit date:2020/10/16
ORDER REGULAR APPROXIMATION  ABLATED U ATOMS  INFRARED-SPECTRA  TRIPLE EXCITATIONS  BASIS-SETS  CHEMISTRY  CYANIDE  THORIUM  COORDINATION  U(NC)(2)  
High stability of the He atom confined in a U@C-60 fullerene 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 35, 页码: 29288—29293
Authors:  Lei, YY;  Wang, B;  Gao, Y;  Jiang, WR;  Xu, DX;  Zhang, W;  Wang, ZG;  Wang, ZG (reprint author), Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China.;  Wang, ZG (reprint author), Jilin Univ, Jilin Prov Key Lab Appl Atom & Mol Spect, Changchun 130012, Peoples R China.;  Zhang, W (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.;  Wang, ZG (reprint author), Jilin Univ, Inst Theoret Chem, Changchun 130023, Peoples R China.
View  |  Adobe PDF(543Kb)  |  Favorite  |  View/Download:106/10  |  Submit date:2016/09/12
Order Regular Approximation  Density-functional Theory  Endohedral Metallofullerenes  Electronic-structure  Basis-sets  32-electron Principle  Molecules  Chemistry  Energy  Pseudopotentials  
On the gold-ligand covalency in linear [AuX2](-) complexes 期刊论文
DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 12, 页码: 5535—5546
Authors:  Xiong, XG;  Wang, YL;  Xu, CQ;  Qiu, YH;  Wang, LS;  Li, J
View  |  Adobe PDF(2174Kb)  |  Favorite  |  View/Download:95/25  |  Submit date:2015/12/09
Correlated Molecular Calculations  Coupled-cluster Calculations  Order Regular Approximation  Natural Resonance Theory  Consistent Basis-sets  Convergent Basis-sets  Gaussian-basis Sets  Theoretical Chemistry  Electronic-structure  Superheavy Elements