兰州大学机构库

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Optimizing Hartree-Fock orbitals by the density-matrix renormalization group 期刊论文
Physical Review B: condensed matter and materials physics, 2010, 卷号: 81, 期号: 23, 页码: -
Authors:  Luo, HG(罗洪刚);  Qin, MP;  Xiang, T;  Luo, HG (reprint author), Lanzhou Univ, Ctr Interdisciplinary Studies, Lanzhou 730000, Peoples R China.
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Can azulene-like molecules function as substitution-free molecular rectifiers? 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 35
Authors:  Zhou, KG;  Zhang, YH;  Wang, LJ;  Xie, KF;  Xiong, YQ;  Zhang, HL(张浩力);  Wang, CW;  Zhang, HL (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem SKLAOC, Lanzhou 730000, Peoples R China.
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Efficient Optimization of Electron/Oxygen Pathway by Constructing Ceria/Hydroxide Interface for Highly Active Oxygen Evolution Reaction 期刊论文
Advanced Functional Materials, 2020, 卷号: 30, 期号: 9
Authors:  Xia, Jiale;  Zhao, Hongyang;  Huang, Bolong;  Xu, Lingling;  Luo, Meng;  Wang, Jianwei;  Luo, Feng;  Du, Yaping;  Yan, Chun-Hua
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core-shell nanotubes  density functional theory  noble-metal-free electrocatalysts  oxygen evolution reaction  rare earth oxides  
Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution 期刊论文
INORGANIC CHEMISTRY, 2014, 卷号: 53, 期号: 14, 页码: 7340-7350
Authors:  Su, Jing;  Wang, Zheming;  Pan, Duoqiang;  Li, Jun
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Theoretical investigation on molecular rectification on the basis of asymmetric substitution and proton transfer reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 22
Authors:  Liu, HM;  Li, P;  Zhao, JW;  Yin, X;  Zhang, HL(张浩力);  Liu, HM (reprint author), Nanjing Univ, Sch Chem & Chem Engn, Key Lab Analyt Chem Life Sci, Nanjing 210008, Peoples R China.
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bonds (chemical)  chemical exchanges  density functional theory  Fermi level  
Effect of dielectric polarization on the properties of charged point defects in insulating crystals: the nitrogen vacancy in AlN 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 卷号: 16, 期号: 20, 页码: 3371-3378
Authors:  Vail, JM;  Schindel, D;  Yang, A;  Penner, O;  Pandey, R;  Jiang, H;  Blanco, MA;  Costales, A;  Qiu, QC;  Xu, Y...Vail, JM;  Schindel, D;  Yang, A;  Penner, O;  Pandey, R;  Jiang, H;  Blanco, MA;  Costales, A;  Qiu, QC;  Xu, Y;  Jiang, H (reprint author), Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA.
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Tuning the magnetic and transport properties of metal adsorbed graphene by co-adsorption with 1,2-dichlorobenzene 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 卷号: 14, 期号: 33
Authors:  Zhang, YH;  Zhou, KG;  Xie, KF;  Zhang, HL(张浩力);  Peng, Y(彭勇);  Wang, CW;  Zhang, HL (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N center dot X(Y)center dot HF (X = Cl, Br and Y = F, Cl, Br) Complexes 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 16
Authors:  Zhou, PP(周盼盼);  Qiu, WY;  Liu, S;  Jin, NZ;  Qiu, WY (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Dept Chem, 222 S Tianshui Rd, Lanzhou 730000, Peoples R China.
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F center in BaF2: Diffuse excited state 期刊论文
Physical Review B: condensed matter and materials physics, 2002, 卷号: 66, 期号: 1, 页码: -
Authors:  Vail, JM;  Coish, WA;  He, H;  Yang, A;  Vail, JM (reprint author), Univ Manitoba, Dept Phys & Astron, Winnipeg, MB R3T 2N2, Canada.
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Transport properties and mechanism of C-60 coupled to carbon nanotube electrode 期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 11
Authors:  Tu, GY;  Guo, DP;  Li, BR;  Zhang, HL(张浩力);  Li, BR (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, SKLAOC, Lanzhou 730000, Peoples R China.
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Transport properties  NEGF-DFT  C-60  CNT