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Keyword [Density functional theory(DFT)]
Result: 161 - 180 | Page: 9 of 10
161.
Theoretical Studies On The Healing Mechanism Of Defects In Graphene
162.
Theoretical Study On The Mechanisms For Important C-H Activation And Hydrogen Atom Transfer Reactions
163.
Computational Studies On C-H Bond Activation Using Nonheme Lron(iv)-oxo Complexes And Transition Metal Complexes With Bidentate Directing Groups
164.
Theoretical Studies On The Application Of Zinc Porphyrin And Triphenylamine-based Organic Dyes In Dye-sensitized Solar Cells
165.
Theoretical Investigations On The Metabolic Mechanism Of Different Substrates Mediated By Cytochrome P450Enzymes
166.
Theoretical And Experimental Studies Of CO
2
Hydrogenation On The In
2
O
3
Based Catalyst
167.
Density Functional Theory Study On Mechanism Of Selective Catalytic Reduction Of No By NH
3
on Mo/HZSM-5Catalysts
168.
First Principal Calculation Of The Magnetic Graphene And The Size And Shape On The Uv-visible Absorption Of Graphehe Quantum Dot
169.
Theoretical Investigation Of Catalytic Reaction On Boron Nitride Metal Nanocomposites Surface
170.
Study Of Several Metal Complexes Catalyzed Carbon Dioxide Activation By Theoretical Calculation
171.
Design And Synthesis Of Copper (â… )-based Dyes With The Conformation Restriction And Their Application In Dye-sensitized Solar Cells
172.
Theoretical Chemistry Study Of The Structures And Nonlinear Optical Properties Of Modified Carbon/Boron Nitride Nanotubes
173.
Physical Mechanics Of Mech-electro-magnetic Coupling In Quasi-one Dimensional Multielements Nanomaterials
174.
The Study Of Metal Phthalocyanines In The Catalytic Reactions In The Degradation Of Dyes And The Oxidation Of Cyclohexene Iii
175.
Thermal Or Aluminum/Magnesium Catalyzed Decompositions Of Several Energetic Materials
176.
Theoretical Study On Mechanism Of Transition-Metal-Catalyzed Hydrocarbonation Of Alkenes And Oxidation
177.
Theoretical Properties’ Regulation Of Low-dimensional Nanomaterials
178.
Structure And Stability Of Aluminum Sulfur And Aluminum Oxygen Binary Clusters
179.
Quantum Chemical Study On Structure And Properties Of Heterocyclic Aromatic Energetic Compound
180.
Theoretical Study On Coupling Reaction Of Carbon Dioxide With Benzylidenecyclopropane Mediated By Nickel(0) Complexes
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