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Keyword [DFT calculation]
Result: 61 - 80 | Page: 4 of 10
61. The Synthesis And Reaction Of 17-electron Cobalt Complexes Containing B(3/6)-norbornyl Substituted Carborane
62. Application Of Molecularly Imprinted Polymer In The Separation And Determination Of Nitramine Explosives
63. Simulation And Analysis Of The Performance Of The Solid Oxide Fuel Cell
64. The Synthesis,Properties And Theoretical Calculation On Transition Metal Complexes Of Terpyridine Halogen Derivatiives And Macrocyclic Compounds
65. Study On Catalytic Oxidation Mechanism Of NO And Hg~0 In Coal-fired Flue Gas By Carbon-based Single Atom Iron Catalysts
66. Theoretical Investigations Of Structures And Metal-metal Multiple Bonds Of Low-valent Uranium Complex And Its Activation On Small Molecules
67. First-Principles Design Of Superconductive And Multiferroic Two-Dimensional Materials
68. Theoretical Study On Structural,Thermal Stability,and Activity Of Nanoalloys Catalyst
69. Computational Study Of CO2 Electroreduction
70. The Application Of Ag/Pt Bimetallic Materials In The Cathode Of Fuel Cells
71. Gas Sensing Mechanism And Performance Tunability Of ZnO Nanorod Arrays Based On DFT Calculation
72. 17O Solid-state NMR Studies On Structure Of Nanooxides
73. The Surface/Interface Coordination Structures Of Catalyst And Their Effects On Catalytic Performance:A Theoretical Study
74. Energy Material Design Based On Electronic-Structure Engineering
75. Construction And Analytical Application Of Novel Nanozymes Based On Iron And Cobalt Metal-organic Frameworks
76. Theoretical Investigations On The 2D Carbon Allotropes And Nonprecious Metal Phosphides Catalysts For Hydrogen Evolution Reaction And The Correlative Catalytic Mechanism
77. Liquid-phase Oxidation And Hydrogenation Reactions Catalyzed By Metal-free Nitrogen-doped Carbon Nanomaterials And Boron Nitrides
78. Diffusion Structure Of Aqueous Rubidium And Cesium Borate Solutions
79. Theoretical Studies On The Mechanisms Of Rhodium-catalyzed C-H Activation Reactions Under Acidic Or Basic Additive Free Conditions
80. DFT Calculation Of Hydrogen Evolution Reaction/Hydrogen Oxidation Reaction On Metal-metal Oxide Composite Catalysts
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