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Keyword [quantum chemistry calculations]
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1. Lycopene: Physicochemical Properties And Interaction With Macromolecules Of Polysaccharides
2. Quantum Chemistry Calculations On Metal Ion-Helium Complexes And Adsportion Study Of Gas In Metal-Organic Frameworks
3. Study On Synthesis, Structures And Spectra Of Sb(Bi) Contained Oxygen-clusters
4. Quantum Chemistry Calculations On The Molecular Hydration
5. A Theoretical Study On The Interaction Of Sulfhydryl Collectors On Sulfide Mineral Surface
6. Design, Syntheses, Characterizations And Quantum Chemistry Research On A Series Of Transition Complexes With Amino-Schiff Base Ligands As Superoxide Dismutase Mimics
7. Quantum Chemistry Calculations And Experimental Research On The Performance Of Hydrocarbon Flotation Reagents
8. Theoretical Studies Of Boron-doped Carbon Nanotube Structure And Gas-sensing Properties
9. Synthesis, Luminescent Properties Of Pyrazoline And Carbazole Compounds
10. Theoretical Study On Carbazole Derivatives
11. Theoretical Investigation Of [2]Rotaxanes By Using Quantum Chemistry Calculations And Molecular Dynamics Simulations
12. The Synthesis, Characterization And Theoretical Calculation Of Donor-acceptor Organic Light-emitting Materials
13. The Study Of The Reactions Between Gold-containing Heteronuclear Metal Oxide Clusters And Small Molecules
14. Design,Synthesis And Theoretical Studies Of Thermally Activated Delayed Fluorescence Materials
15. Theoretical Study On Atmospheric Oxidation Mechanism Of Furan Compounds
16. The Study Of The Oxidation Of Small Molecules By Heteronuclear Metal Oxide Clusters
17. Studies Of The Interactions Between Urea And Water/Amino Acid Dipeptides By Quantum Chemical Methods And ABEEM/MM Fluctuating Charge Force Field
18. QM/MM simulation on P450 BM3 enzyme catalysis mechanism and quantum chemistry calculations on transition metal dimers
19. Quantum chemistry calculations of the reactions of gaseous oxygen atoms with clean and adsorbate-terminated silicon(100)-(2x1)
20. Photoinduced Reaction Synthesis Of Isoindolinone Bridged Cycloheptapeptide Combined With Quantum Chemical Calculations
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