Dissertation　

About 1325 item dissertation in line with Density functional theory query results,the following is 1 to 50(Search took 0.055 seconds)

  1. Density-Functional Studies of the Surface Effect for Low-dimensional Silicon Materials,WangRong/Zhejiang University,0/6
  2. Adsorption Investigation of the Modified Polyvinylidene Fluoride Ion Exchange Membrane toward Cu(Ⅱ) and Ni(Ⅱ),LiuXiaoWei/Yanshan University,0/43
  3. Dft Studies of Adsorption Behivior of Persistent Organic Pollutants (POPs) PFOS/PFOA on Anatase TiO2Surfaces,XueZuoZuo/Ocean University of China,0/56
  4. The Theoretical Studies on Structures and Performances of Nin and NinAl (n=2-13)clusters,Wanxia Wang/Ocean University of China,0/0
  5. Study on the Mechanisms of Quantum Control of Electronic Transport in Carbon-Based Molecular System and Its Application,LiXiaoFei/Hunan University,2/0
  6. Electronic and Transport Properties of Boron Nitride-Graphene Hybrid Nanostructures,XiaoHuaPing/Xiangtan University,0/171
  7. Effects of Oxygen-containing Functional Groups on Transport Properties of Graphene Nanoribbons,ZhangChunXiao/Xiangtan University,0/71
  8. First Principles Investigation of the Adsorption on Boron-or Nitrogen-doped Carbon Nanotube and Graphene,YaoJie/Huazhong University of Science and Technology,0/31
  9. Studies on Physical Properties of One Dimensional ZnO Nanostructures,WangYanZong/Nanjing University of Aeronautics and Astronautics,0/11
  10. First Principle Study on Magnetism of Semiconductor Nanostructure,TangZhenKun/Hunan University,0/224
  11. Study of Spin Polarization and Photoelectric Properties of the CdS Low Dimensional Nanostructures,LiPing/Shandong University,0/216
  12. Mechanism Research on Switch and Rectifier in Molecular Scale,ZengJing/Hunan University,0/76
  13. Theoretical Investigation of MgO and ZnO-based Nanomaterials,ZhangYanGe/University of Science and Technology of China,0/93
  14. First Principles Study of Anatase-phase TiO2Nanotubes,ZhangHaiYang/Ocean University of China,0/123
  15. First-principles Study on SiC Nanowires/Single-walled Nanotubes Core/Shell Heterostructures,ZouXiaoCui/Jiangxi Normal University,0/17
  16. Study on AlGaN materials preparation and optoelectronic properties,ShiZuoZhou/Northwestern University,0/5
  17. Material Design and Computational Investigation on Graphene Nanoribbons and Silicon Carbide Nanoribbons,GuanJia/Jilin University,0/125
  18. A DFT Study of Formaldehyde on Functionalized Carbon Nanotubes,WangXingYan/East China University of Science and Technology,0/29
  19. The Hydrogen Storage Properties of Metal Hydrides R3ZNH5(R=K, Rb,Cs) and Effect of Co-Doped NABH4:First-principle Calculations,LiJia/Beijing University of Chemical Technology,0/34
  20. A First Principles Study on the Effects of Temperature, Pressure, and Special Chemical Bond on Strengths of Materials,ZhouZuo/Shanghai Jiaotong University,0/58
  21. Mechanism of Thermally Induced Isoarerization of Unsaturated Fatty Acids in Soybean Oil and Safety Analysis of the Products,LiAn/Chinese Academy of Agricultural Sciences,0/243
  22. Study on the Preparation Process of HMX、TEX Catalyzed by Solid Acid,XuJian/Nanjing University of Technology and Engineering,0/13
  23. Reaction Mechanism on S-active Groups in Coal and O2,DaiFengWei/Liaoning Technical University,0/3
  24. Study on the Catalytic Oxidation Properties of the Cu-Based Metai-Organic Frameworks,LiBao/Zhejiang University of Technology,0/44
  25. Study on the Reaction Mechanism and Synthesis of Derivatives of CF3CCl3,LiuZhiZheng/Zhejiang University,0/22
  26. Density Functional Theory and Experimental Studies on the Reaction Mechanisms of Thermal Plasma Pyrolysis,HuangXiaoZuo/Zhejiang University,0/6
  27. A Theorical Study of Water Adsorption and Splitting on Graphitic Carbon Nitrides Surface,HuangDa/Harbin Institute of Technology,0/97
  28. Adsorption Investigation of the Modified Polyvinylidene Fluoride Chelating Membrane towards Nickel Ions,LiGuoDong/Yanshan University,0/16
  29. Surface-enhanced Raman Spectroscopy(SERS) Methods for Detection of Ethyl Carbamate and Escherichia Coli,YangDanZuo/Zhejiang University,0/61
  30. Theoretical Study of Adsorption CO Molecule on Palladium-Doped Boron Nitride Nanotubes,Cui/Harbin University of Science and Technology,0/2
  31. Inhibitory Action Research of Pyrrole for Dibenzothiphene Hydrodesulfurization Reaction on NiMoS Catalyst,WangPeng/Wuhan Institute of Technology,0/21
  32. Gas Molecules Adsorption Mechanism at Solid Materials: a First Principle Study,WangHouYuan/Ningbo University,0/0
  33. Theoretical Study of the Interaction of Water Molecular and Hydrazine Hydrate on the Surfaces of Kaolinite and in Kaolinite,ZhangChao/Shandong Agricultural University,0/6
  34. DFT Study of the Effect of Pre-adsorbed Atomic Oxygen on the Dehydrogenation and Epoxidation Reaction over Metal Surface,XingBin/Nankai University,0/12
  35. The Theoretical Design of Efficient Anode Catalysts in Direct Formic Acid Fuel Cells,LiSongJu/Harbin Institute of Technology,0/32
  36. Dft Studies of the Furfural Hydrogenation Mechanism on Different Metal Catalysts,XiaMingYu/Zhejiang University of Technology,0/61
  37. Theoretical Studies on the Degradation Mechanisms for Several Fuoirnated Organic Compounds in the Atmosphere,JinTongYin/Jilin University,0/55
  38. Study on the Mechanisms of Photocatalytic Reactions on Rutile TiO2（110） Surface at Molecular Level,JiYongFei/University of Science and Technology of China,0/52
  39. Fluoridation of Al-Based Catalyst:a Density Functional Theory Study,QuanJieLi/Zhejiang Normal University,0/15
  40. Studies about the Effect of Support Properties for CuY and Cu/γ-Al2O3Catalysts on the Catalytic Performance in Vapor Oxidative Carbonylation of Methanol,LiJingRui/Taiyuan University of Technology,0/41
  41. Ab Initio Study on the Photocatalyst of SrTiO3with Doping,ShiWuJun/Nanjing University,0/169
  42. Density Functional Theory Study of the Mechanism of NO Decomposition over Rh/SiO2Catalysts,YaoDie/Harbin Institute of Technology,0/36
  43. Theoretical Studies of Several Organocatalytic Asymmetric Reactions and Platinum(Ⅱ)-Catalyzed Cycloaddition Reaction,LvPingLi/Shandong University,0/85
  44. A Study of the Excited State Structural Dynamics of Thioamides and Aromatic Diketones,FanRuiXue/Zhejiang University of Technology,0/0
  45. Study on reaction theory and transition metal complex catalyzed enyne compounds,LiuMingZuo/Shandong Normal University,0/5
  46. Theoretical Studies on the Group VB/VIB Transition Metal Oxide Clusters,WangBin/Fuzhou University,0/3
  47. The Theoretical Study of Krypton Adsorption on the Graphene Surface,LiXiaoLin/Harbin Institute of Technology,0/9
  48. Spectra and Density Functional Theoretical Studies of the Structures of Bi-metallothionein, Pb-metallothionein and As-metallothionein,HeYongHui/Central South University,0/52
  49. The Theoretical Studies on Structures and Performances of Ni_n and Ni_nAl (n=2-13)Clusters,WangWanXia/Ocean University of China,0/20
  50. Density Functional Theory Study of WnCo0,±（n=1～6） Clusters,WangYangYang/Jiangsu University of Science and Technology,0/1

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