CAS OpenIR

Browse/Search Results:  1-10 of 13 Help

Selected(0)Clear Items/Page:    Sort:
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
View  |  Adobe PDF(3267Kb)  |  Favorite  |  View/Download:4/1  |  Submit date:2021/09/06
QUADRATIC CONFIGURATION-INTERACTION  GENERALIZED GRADIENT APPROXIMATION  VAPOR-PHASE HYDROCHLORINATION  CATALYTIC-ACTIVITY  CO OXIDATION  PHOTOELECTRON-SPECTROSCOPY  DENSITY FUNCTIONALS  AEROBIC OXIDATION  CARBON-DIOXIDE  BASIS-SETS  
High brightness fully coherent x-ray amplifier seeded by a free-electron laser oscillator 期刊论文
PHYSICAL REVIEW ACCELERATORS AND BEAMS, 2018, 卷号: 21, 期号: 4, 页码: -
Authors:  Li, K;  Yan, JW;  Feng, C;  Zhang, M;  Deng, HX
View  |  Adobe PDF(643Kb)  |  Favorite  |  View/Download:135/21  |  Submit date:2018/09/06
Generation  Radiation  Regime  
A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2018, 卷号: 69, 期号: 3, 页码: 336-342
Authors:  Wang, CY;  Guo, YL;  Zhao, YY;  Zeng, GL;  Zhang, W;  Ren, CL;  Han, H;  Huai, P
View  |  Adobe PDF(3685Kb)  |  Favorite  |  View/Download:109/20  |  Submit date:2018/09/06
1st Principles  Stability  Tho2  
First-principles investigation on the geometries, stabilities and defective properties of fluoride surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 133, 页码: 159-166
Authors:  Han, H;  Yin, G;  Wang, H;  Wang, CY;  Shao, K;  Zhang, W;  Dai, JX;  Huai, P
View  |  Adobe PDF(2530Kb)  |  Favorite  |  View/Download:101/24  |  Submit date:2017/12/08
Metal Fluoride  First-principles  Surface Property  Density Functional Calculation  
Copper Salts Doped Spiro-OMeTAD for High-Performance Perovskite Solar Cells 期刊论文
ADVANCED ENERGY MATERIALS, 2016, 卷号: 6, 期号: 21, 页码: -
Authors:  Li, M;  Wang, ZK;  Yang, YG;  Hu, Y;  Feng, SL;  Wang, JM;  Gao, XY;  Liao, LS;  Liao, LS (reprint author), Soochow Univ, Jiangsu Key Lab Carbon Based Funct Mat & Devices, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Peoples R China.
View  |  Adobe PDF(3294Kb)  |  Favorite  |  View/Download:170/76  |  Submit date:2017/03/02
Copper Salts  Hole Transport Materials  Perovskite Solar Cells  Stability  
Spin transport in intermediate-energy heavy-ion collisions as a probe of in-medium spin-orbit interactions 期刊论文
NUCLEAR PHYSICS A, 2016, 卷号: 955, 页码: 41-57
Authors:  Xia, Y;  Xu, J;  Li, BA;  Shen, WQ;  Xu, J (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
View  |  Adobe PDF(868Kb)  |  Favorite  |  View/Download:116/24  |  Submit date:2017/03/02
Heavy-ion Collisions  Collective Flows  Spin-orbit Coupling  Polarization  
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  
石墨烯缺陷结构与氟及乙炔等小分子相互作用的理论研究 学位论文
: 中国科学院研究生院(上海应用物理研究所), 2014
Authors:  王松
Adobe PDF(6928Kb)  |  Favorite  |  View/Download:106/0  |  Submit date:2015/03/13
石墨烯  缺陷  双空位    氢气  乙炔  
Experimental and theoretical investigations on high-pressure phase transition of Sr2Fe2O5 期刊论文
PHYSICS AND CHEMISTRY OF MINERALS, 2014, 卷号: 41, 期号: 6, 页码: 449—459
Authors:  Zhu, F;  Wu, Y;  Lai, XJ;  Qin, S;  Yang, K;  Liu, J;  Wu, X;  sqin@pku.edu.cn;  xiang.wu@pku.edu.cn
View  |  Adobe PDF(1132Kb)  |  Favorite  |  View/Download:161/38  |  Submit date:2015/03/13
Augmented-wave Method  Neutron-diffraction  Magnetic-properties  Brownmillerite  Temperature  Crystal  System  Srfeox  State  N=2  
Slippage effect on energy modulation in seeded free-electron lasers with frequency chirped seed laser pulses 期刊论文
PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS, 2013, 卷号: 16, 期号: 6
Authors:  Feng, Chao;  Deng, Haixiao;  Wang, Guanglei;  Wang, Dong;  Zhao, Zhentang
View  |  Adobe PDF(1291Kb)  |  Favorite  |  View/Download:201/53  |  Submit date:2014/06/13