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Keyword [Density functionaltheory]
Result: 1 - 20 | Page: 1 of 2
1. Theoretical Studies Of The Mechanism Of Synthesis Of Nitrogen-containing Heterocyclic Compounds Catalyzed By The Transition Metals
2. A Density Functional Study On The Adsorption And Dissociation Of Small Molecules Over ZrO2Perfect And Supported Surfaces
3. Theoretical Study Of Electrocatalytic Oxygen Reduction Reaction On Pt And PtM Alloys
4. Theoretical Studies On Optical Excitation And Intramolecular Charge Transfer Phenomena In Several Complex Systems
5. Synthesis And Properties Of Ketocoumarin Fluorescent Compounds
6. Nitrous Oxide Decomposition Over Zeolite Catalysts
7. Experimental And Theoretical Study On The Environment Properties Of Some Halodiphenyl Ethers And Their Analogues
8. Synthesis And Properties Of Water-soluble Nano-heterostructures
9. Theoretical Studies Of The Fullerenes C40
10. DFT Study On P-ZSM-5Zeolite Catalyst For Dehydration Of Bio-ethanol To Ethylene
11. Preparation Of Metallic Nanoparticles And Studies On The Interaction Of Nicotine With Bovine Serum Albumin By The SERS Spectrum
12. Molecular Designs Of New Energetic Nitrogen-containing Heterocycle Compounds
13. Computer Simulation Study On The Mechanism Of HTPB Curing Reaction And The High Explosive System
14. Theoretical Study On Excited Hydrogen Bond For Biological Molecules And Metal-organic-frameworks Materials
15. Theoretical Study Of Electronie Properties Of Organic Devices And Functionalized Graphene
16. Preparation And Function Of Graphene With Assistance Of Supercritical Carbon Dioxide And Their Application In Fuel Cells
17. The Preparation Of Gan Nanowires And The Theoretical Research Of The Electrical Properties
18. Yttrium Lithium Fluoride Crystals Of Intrinsic Defects And Doping Mechanism Research
19. Transition Metal Complex Catalyst C - H Activation Theory Research
20. Theoretical Studies On The Cation-Anion Interaction And Proton Transfer Mechanism Of Proline Based Ionic Liquid
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