兰州大学机构库

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Modeling of Nuclear Waste Forms: State-of-the-Art and Perspectives 期刊论文
MRS ADVANCES, 2020, 卷号: 5, 期号: 5-6, 页码: 213-222
Authors:  Kowalski, Piotr M.;  Lange, Steve;  Deissmann, Guido;  Sun, Mengli;  Kvashnina, Kristina O.;  Baker, Robert;  Kegler, Philip;  Murphy, Gabriel;  Bosbach, Dirk
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nuclear materials  simulation  actinide  ceramic  
Accurate and Validated Quantitative Structure - Activity Relationship Model of Caspase-mediated Apoptosis-inducing Activity of Phenolic Compounds Using Density Functional Theory Calculation and Genetic Algorithm - Multiple Linear Regression 期刊论文
QSAR COMB SCI, 2008, 卷号: 27, 期号: 11-12
Authors:  Chang, J;  Lei, BL;  Li, JZ;  Li, SY(李书艳);  Shen, YL;  Yao, XJ(姚小军);  Chang, J (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Apoptosis  Density functional theory (DFT)  Genetic algorithm (GA)  Multiple linear regression (MLR)  Quantitative struture - activity relationship (QSAR)  
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  
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  
A coumarin-derived fluorescent chemosensor for selectively detecting Cu2+ : Synthesis, DFT calculations and cell imaging applications 期刊论文
TALANTA, 2014, 卷号: 124, 页码: 139-145
Authors:  Chen, FJ(陈凤娟);  Liu, GZ;  Shi, YJ;  Xi, PX(席聘贤);  Cheng, J;  Hong, JP;  Shen, R;  Yao, XJ(姚小军);  Bai, DC(白德成);  Ceng, ZZ(曾正志)...Chen, FJ(陈凤娟);  Liu, GZ;  Shi, YJ;  Xi, PX(席聘贤);  Cheng, J;  Hong, JP;  Shen, R;  Yao, XJ(姚小军);  Bai, DC(白德成);  Ceng, ZZ(曾正志);  Zeng, ZZ (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Key Lab Nonferrous Met Chem & Resources Utilizat, Lanzhou 730000, Peoples R China.
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Chemosensor  Fluorescence  Live cell  Imaging  DFT  Cu2+  
Structure-property relationships in conjugated donor-acceptor systems functionalized with tetrathiafulvalene 期刊论文
NEW JOURNAL OF CHEMISTRY, 2011, 卷号: 35, 期号: 9
Authors:  Jia, CY;  Zhang, JQ;  Zhang, LG;  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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Synthesis, Structures and DFT Studies of Imido-bridged and (Bis)ligand-coordinated Titanium Complexes 期刊论文
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2013, 卷号: 639, 期号: 10
Authors:  Wu, J;  Chen, YM;  Chen, Z;  Liu, W;  Li, YH;  Pei, H;  Liu, YL;  Gao, Q;  Li, W;  Liu, W (reprint author), Soochow Univ, Key Lab Organ Synth Jiangsu Prov, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Peoples R China....Wu, J;  Chen, YM;  Chen, Z;  Liu, W;  Li, YH;  Pei, H;  Liu, YL;  Gao, Q;  Li, W;  Liu, W (reprint author), Soochow Univ, Key Lab Organ Synth Jiangsu Prov, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Peoples R China.
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Titanium  Imido-bridged complexes  (Bis)ligand-coordinated complexes  Schiff base ligand  DFT studies  
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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