Dissertation　

About 68 item dissertation in line with density function theory query results,the following is 1 to 50(Search took 0.049 seconds)

  1. First Principle Study on Rare Earth Doped Gan,LiZuoZuo/Hebei University of Technology,0/18
  2. Investigations of the Transport Properties and Properties of One-dimensional SiC Nanoscale Materials,ZhangWeiHu/Xi'an Optics and Fine Mechanics,1/0
  3. The spectroscopic and electrochemical study of amino acid biological molecular corrosion inhibition of copper,SongPing/Shanghai Normal University,0/46
  4. The Study of Catalytic Activity on Single Gold Atom and the Nature of Gold Alloys Melting Points via First Principle,Wang/Zhejiang University,0/0
  5. Study on the Properties of the Hydrogen Bonds in Biology,ZhangMingZhen/Dalian University of Technology,0/41
  6. Purine Compounds are Studied as High Energy Density Materials,ZuoTing/Shanxi Normal University,0/1
  7. Study of 3d transition metal doped ZnO nanomaterials magnetic, optical mechanism,ZhangFuChun/Xi'an Optics and Fine Mechanics,0/120
  8. Theoretical Study on the Structures and Properties of Conjugated Polymers and Molecular Design of Organic Conductive Materials and Organic Solar Cell Materials,DengLiDan/Southwestern University,0/137
  9. Theoretical Study on Decomposition Mechanism and Kinetics Properties of Trifluoroacetic Acid,JiangYaJun/Inner Mongolia Normal,0/17
  10. Study on Electronic Characteristics between Probe and Workpiece in Micro Nano Machining,ChenZhiShun/Jiangnan University,0/14
  11. The Reaction Mechanism of Acetylene Hydrochlorination over Au-based Catalysts,HeZhengHua/Tianjin University,0/146
  12. Investigation on Theanine and Discrimination of Tea Based on Raman Spectroscopy,ChenYongJian/Fujian Normal University,0/128
  13. First Principles Studies on Adsorption and Co-adsorption of N2O and H on Ir Surfaces,JinDanPing/Zhejiang University,0/37
  14. Study on the molecular mechanism of interstellar space containing peptide -CONH-,LiuYang/Shandong Normal University,0/41
  15. Improving Accuracy of Quantum Chemical Calculation: Extreme Learning Machine Neural Network,WangJiaNan/Northeast Normal University,0/221
  16. Theoretical Investigation and Molecular Design of Organic Optoelectronic Materials,ZhangYan/Southwestern University,0/36
  17. Theoretical Study on Structure Stability and Electronic Properties of Oxygen Dopoed BC2N Nanotubes,WuGongLian/Harbin University of Science and Technology,0/16
  18. The Density Functional Theory Research of Ag Atoms Adsorbed in TiO2（110） Surface,LuDing/Hebei Normal,0/94
  19. Research on the ash microstructure characteristics by the method of quantum theory,LiJie/University of Shanghai for Science and Technology,0/37
  20. Fisrst Principles Study of CaO Doped With 3d Transition Metals,LiZuoJun/Yanshan University,0/53
  21. H2Adsorption on Nb（100）and Nb（110）Surfaces by Using Ab-initio Investigation,LinWenLong/Zhejiang University,0/221
  22. The First Principle Study of Spin Polarization in Charged Molecule Polythiophene,QiuJunJie/Shandong University,0/36
  23. The First Principle Calculations of Pt-based Superconducting Materials,ChenHui/Hangzhou Normal University,0/49
  24. The Electronic Transport Mechanism and Computational Design of Functional Molecular Devices,HeJun/Hunan University,0/100
  25. Theoretical Investigation of Structure Design and Spin Control on Graphene and Graphene-like Quantum Dots,XiYan/Shandong University,0/275
  26. V(W, Mo)/S/Cu Heterometallic Clusters: Syntheses, Structures and Third-order Nonlinear Optic Properties,TangGuoDong/Nanjing University of Technology and Engineering,0/133
  27. The Effect of External Electric Field of Excited States for Plutonium Compounds and Potential Function of Excited States for Diatomic Molecules,XieAnDong/Sichuan University,0/133
  28. Research on Low Molecular Compound in Coal Oxidized Spontaneous Combustion Mechanism,DanYaFei/Liaoning Technical University,1/462
  29. Theoretical and Experimental Research on the Compatibility Issues of Heterogeneous Material for the Monolithic Integrated Optoelectronic Devices Applied in Communications,RenAiGuang/Beijing University of Posts and Telecommunications,3/109
  30. The Plasmodium genome-wide data, and molecular docking method prediction of antimalarial targets,HanLiPing/Fudan University,1/251
  31. Nanosystems and transport properties of spin-polarized theory,LiZhongYao/Fudan University,0/327
  32. 3d transition metal doped magneto-optical mechanism study of one-dimensional ZnO nanomaterials,ZhangFuChun/Xi'an Optics and Fine Mechanics,1/450
  33. Insight into the Important Electrochemical Reactions from First-Principles Study,FangYaHui/Fudan University,0/271
  34. Theoretical studies of hydrogen bonds between the DNA bases and the peptide chain,TangZuo/Qufu Normal University,1/86
  35. The Investigation on Fullerene Derivatives,SunJinLan/Dalian University of Technology,0/197
  36. First-Principles Investigation on Pdn、Pdn-1S Clusters and the Phenomena about Blue-shift in the GaN by Al-doping,QiuGuoLi/Henan University,0/146
  37. Fe / Cu (100) ultra-thin film magnetic structure DFT calculations,TianZhiXue/Hebei Normal,0/97
  38. Mie Scatting Theory Study on Interaction between Light Wave and Particle and Microcosmic Calculation about Optical Properties of the New Compound Li4CaB2O6,LiQingHuan/Sichuan University,0/204
  39. Density functional theory of electronic structure and properties of strontium titanate,ZuoJiangNi/Northwestern University,5/299
  40. Theoretical Studies of the Slab Structure and Supermolecular Interactions of ZnAl-LDHs,WuJingZuo/Beijing University of Chemical Technology,1/167
  41. Theoretical Study of the Effects of Boron-doped Graphite Cathode on Absorptions of Alkali Metals,MaShuRong/Northeast Normal University,0/105
  42. The diacetyl monoxime hydrogenation reaction theoretical studies of the catalyst and its catalytic activity,LiWei/Zhengzhou University,0/55
  43. First-Principle Study on the Electronic Structure and Spin Structure of Half-metallic Ferromagnets,WangJuan/Wuhan University of Technology,1/479
  44. First-Principles Investigation on Peristylapolyenes and the Narrow of Band Gap of Anatase TiO2 by N-doping,KongDeGuo/Henan University,0/139
  45. Synthesis and Application of Ga, Gh , and Gd quaternary ammonium compounds,KongSuDong/Nanjing University of Technology and Engineering,0/174
  46. First-principles study VO_2, ZnS and Fe_4N the electronic structure and the nature of,HuYongJin/Yangzhou University,0/179
  47. Theoretical study of electronic structure and optical properties of lead salts (001),MaJianXin/Zhengzhou University,1/150
  48. Acid-base bifunctional catalysis of hydrogen - migration Theoretical Study on Reaction,DiYuQing/Shandong Normal University,0/116
  49. The Theory Study on Synthesis of 4-methoxyphenol and Its Experiments,ZhangDingLin/Chongqing University,1/268
  50. Quantum Chemical Study on the Doping of Anode Material for Lithium-ion Battery and on the Reaction Mechanism of the Isomerization: HNC→HCN,ZhangHuiQin/Chongqing University,0/160

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