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Keyword [solvation effect]
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1. Solvent Effect Of Water-Methanol Mixture And Continuum Model For Solvent Reorganization Energy
2. Theoretical Studies On The Reaction Of Pentafulvenone With H2O, HCN And HNC
3. Superoxide Dismutase Catalytic Reaction Mechanism
4. The Development And Application Of A Molecular Dynamics/Quantum Mechanics Approach For Rank-ordering CD-ligand Binding Affinity
5. Theoretical Study On The Structural Mimic Of The Activesite Of [Fe]-Hydrogenase
6. Mechanism Study Of Palladium-Catalyzed Chloromethylnaphthalene Dearomatization Reaction
7. Theoretical Studies On Molecular Interactions In Solution And Interface
8. Energetic Contribution Of N-π~*Hyperconjugation Interations To Short Model Peptides’ PolyprolineⅡ Conformations
9. The Study Of Absolute Acidity Of Compounds And The Solvation Effect In Ionic Liquids
10. The Design, Synthesis Of 9,10-aryl Vinyl Anthracene Derivatives And The Studies Of Its Optical Properties
11. Studying On The Gas Phase "H/D Scrambling" Phenomenon For Two Types Of Indoles In Electrospray Ionization Mass Spectrometry
12. Study On Solvation And Aggregation Effects Of Sulfur-Containing ?-Conjugated Molecules
13. Study On Microstructure And Regulation Mechanism Of Brominated Butyl Rubber
14. Study On Excited State Intramolecular Proton Transfer Of 2-ketones And GFPs
15. Ultrafast dynamics of barrier crossing: Step-wise solvation effect on isomerization of trans-stilbene in alkane clusters
16. First-principles And Synchrotron Radiation Studies Of Single-atom Electrocatalytic Reaction Mechanisms
17. Solubility Behavior And Solvation Effects Of L-Proline And Its Derivatives
18. Numerical Simulation Study Of The Solvation Effect On The Kinetic Behavior Of Au Nanoparticles
19. Based On The Density Functional Theory To Study The Influence Of Excited State Hydrogen Bond And Intramolecular Proton Transfer Under Different Water Content
20. Multicomponent Solid-liquid Phase Equilibrium And Polymorphism Of ?-arbutin In Solvent Systems
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