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Keyword [Density functional method]
Result: 1 - 20 | Page: 1 of 2
1. Study On Doped Nanocrystalline AgSnO2 Contact Materials And Quasi-fluid State In Silicon Single Crystal
2. Quantum Chemical Studies On Bond Dissociation Energies And Hydrogen Bonding Application To Organocatalysis
3. Mechanisms Of Palladium And Nickel Catalyzed Cross Coupling Reactions
4. Theoretical Studies On Thermodynamic Properties Of The Hydrides
5. Geometrical And Electronic Properties Of Small Clusters For Nickel, Palladium And Platinum
6. Precision Hybrid Density Functional Method
7. The Thermodynamic Properties Study On C-H Bond Activation Of Fused-heterocycle Compounds
8. Theoretical Study On The Proton Transfer For 2′-substituted Phenyl(Pyridyl) Benzazole Compounds And Its Chemical Sensor For Fluoride Anion
9. Synthesis And Photoelectric Properties Of Silole-containing Acetenyl Aromatic Copolymer
10. The Molecular Mechanism Of Adsorption And Environmental Responsive Behavior Of Polymer Brushes:Density Functional Method
11. Design And Stablity Study Of Lanthanide Azide Group Compounds Synthesis
12. Machanistic Insight Into Aerobic Alcohol Oxidation Mediated By Cu-based Catalytic System
13. Theoretical Prediction Of Protein-drug Binding Structure For 3HNRase And FBPase By DOX Method
14. Theoretical Study On The Excited Interaction Offormaldehyde With The Hydrogen Bonding Offluorenone,o-Nitroaniline And Uracil
15. Theoretical Study On Synthesis And Stabilities Of N7CR Series
16. Research Of Molecular Simulation For Water Cluster
17. Mechanistic Insight Into Aerobic Oxidation Of Alcohol Mediated By Cu/TEMPO Biomimetic Catalyst In Aqueous Solution
18. Theoretical Study On Molecular Charge Transfer Of Triphenylamine Dyes
19. The Synergistic Effect Of Metal Affinity And ?...? Action
20. Improved methods for the modeling of water and ice: I. Development and assessment of density functional methods. II. Development and application of the electrostatically embedded many-body expansion
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