兰州大学机构库

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Towards an ab initio covariant density functional theory for nuclear structure 期刊论文
PROGRESS IN PARTICLE AND NUCLEAR PHYSICS, 2019, 卷号: 109
Authors:  Shen, Shihang;  Liang, Haozhao;  Long, Wen Hui;  Meng, Jie;  Ring, Peter
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Covariant density functional theory  Ab initio approach  Relativistic Brueckner-Hartree-Fock theory  Finite nuclei  Neutron drops  
DENSITY FUNCTIONAL THEORY INVESTIGATE OF THE RgF(n)(Rg = Kr, Xe; n=2, 4, 6) MOLECULES 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2011, 卷号: 22, 期号: 2, 页码: 155-167
Authors:  Fang, K;  Wu, XB;  Du, CL;  Dai, YC;  Chu, SB;  Hu, LB;  Dengy, JB;  Feng, YP;  Fang, K (reprint author), Lanzhou Univ, Inst Theoret Phys, Lanzhou 730000, Peoples R China.
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Hybrid density functional methods  noble gas compound  
Influence of Interface Structure on the Properties of ZnO/Graphene Composites: A Theoretical Study by Density Functional Theory Calculations 期刊论文
Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 20
Authors:  Geng, W;  Zhao, XF;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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N-15 and C-13 NMR chemical shifts of 6-(fluoro, chloro, bromo, and iodo)purine 2 '-deoxynucleosides: measurements and calculations 期刊论文
MAGNETIC RESONANCE IN CHEMISTRY, 2010, 卷号: 48, 期号: 1
Authors:  Bai, S(白实);  Dmitrenko, O;  Dybowski, C;  Bai, S (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA.
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N-15 chemical shifts  6-halopurine nucleosides  DFT  GIAO  halogen substituent  
Surface channelling and energy losses of 4 keV hydrogen and fluorine ions in grazing scattering on Au(111) and missing row reconstructed Au(110) surfaces 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 卷号: 22, 期号: 34, 页码: -
Authors:  Chen, L;  Valdes, JE;  Vargas, P;  Esaulov, VA;  Valdes, JE (reprint author), Univ Tecn Federico Santa Maria, Dept Phys, Casilla 110-V, Valparaiso, Chile.
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NMR and DFT studies of steric effects on intermolecular C-H center dot center dot center dot O hydrogen bonding in solution 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2006, 卷号: 789, 期号: 1-3
Authors:  Xiang, SJ;  Yu, GQ(于桂琴);  Liang, YM(梁永民);  Wu, LM(吴隆民);  Liang, YM (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, 222 Tianshui S Rd, Lanzhou 730000, Peoples R China.
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C-H center dot center dot center dot O  weak hydrogen bond  steric effect  H-1 NMR spectroscopy  deshielding effect  density functional theory  
Effects of the electric field on the properties of ZnO-graphene composites: a density functional theory study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 8
Authors:  Geng, W;  Zhao, XF;  Zan, WY;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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Theoretical Investigations of Tetrathiafulvalene Derivative as Electron Donor in Organic Dye for Dye-Sensitized Solar Cells 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2014, 卷号: 30, 期号: 2, 页码: 273-280
Authors:  Chen, XM;  Jia, CY;  Wan, ZQ;  Yao, XJ(姚小军);  Jia, CY (reprint author), Univ Elect Sci & Technol China, Sch Microelect & Solid State Elect, State Key Lab Elect Thin Films & Integrated Devic, Chengdu 610054, Peoples R China.
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Tetrathiafulvalene  Dye sensitizer  Density functional theory  Time-dependent density functional theory  Dye-sensitized solar cell  四硫富瓦烯  染料敏化剂  密度泛函理论  含时密度泛函理论  染料敏化太阳能电池  
Li-decorated β12-borophene as potential candidates for hydrogen storage: A first-principle study 期刊论文
Materials, 2017, 卷号: 10, 期号: 12
Authors:  Liu, Tingting;  Chen, YH(陈玉洪);  Wang, Haifeng;  Zhang, Meiling;  Yuan, Lihua;  Zhang, Cairong
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Self-consistent determination of Hubbard U for explaining the anomalous magnetism of the Gd-13 cluster 期刊论文
Physical Review B: condensed matter and materials physics, 2014, 卷号: 89, 期号: 8, 页码: -
Authors:  Tao, K(陶琨);  Zhou, J(周俊);  Sun, Q;  Wang, Q;  Stepanyuk, VS;  Jena, P;  Jena, P (reprint author), Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA.
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