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Keyword [Density function theory]
Result: 121 - 140 | Page: 7 of 8
121. The Study Of Electrocatalytic Mechanism Of CH3OH On Pt/WC Surface From Density Function Theory
122. Theoretical Study On Thermodynamic Properties Of B-X Bond Of Organoboron Compounds Involved In The Reactions Catalyzed By Transition Metal
123. Ammonia Leaching-extraction And Recovery Of Zinc From Blast Furnace Gas Ash
124. Theoretical Study On Detonation Performance And Elimination Reaction Mechanism Of Several B,N-containing Compounds
125. Theoretical Study On Design And Properties Of Lindqvist-Type Polyoxometalate-Based Sensitizer
126. Density Functional Theory Study Of Ionic Iridium(?)Complexes For Light-emitting Electrochemical Cells
127. The Simulation Studies On Catalytic Mechanism Of Methanol Synthesis From CO2 Hydrogenation And The Surface Structure Over In2O3 Catalysts
128. Divide-and-couple Mechanism Of Formation Of Dirac Cone Electronic Structures In Two-dimensional Materials
129. Theoretical Study On Thermodynamic Properties Of Organonitrogen And Organosulfur Compounds
130. Studies On Synthesis And [2+2] Photocyclization Of 1,4-and 1,2-dihydropyridine Derivatives
131. Theoretical Study On Desulfurization And Sulfur Transfer Mechanism Of Ni/ZnO Catalyst
132. Tailoring The Luminescence Properties Of Two-dimensional Hexagonal Boron Nitride Atomic Layers Via Defect Engineering
133. Study On The Cluster Model Of Single-Atom Copper Group Catalysts
134. Synthesis,Structures,Optical Properties And DFT Studies Of Metal(Mg,Ca,Sm,Nd) Complexes Containing Octanoyl Amino Carboxylic Acids
135. Density Functional Theory And Experiment Study Of The Dehydrogenation Of Methane On Ni3Fe(111)surface And O Pre-adsorption's Influence On Carbon Deposition
136. Theoretical Calculations On The Selectivity And Luminescence Property Of Metallic Ions Ratiometric Fluorescent Probes
137. Theoretical Study Of Graphene-based Metal Catalyst's Electrocatalytic Properties On Nitrogen Reduction Reaction
138. Mechanism Of Thermal Decomposition Of Xylan And Pectin By Molecular Simulation Study
139. Theoretical Study On The Mechanism Of Photoinduced Dearomatization Of Benzenoid Arenes
140. DFT Computational Investigation On The Mechanism Of Organocatalytic Multicomponent And Aza-pinacol Rearrangement Reactions
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