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Keyword [density functional theoretical]
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1. A Study On Synthesis And Inhibition Mechanism Of β-Amino Alcohols As Volatile Corrosion Inhibitors
2. Density Functional Theoretical Studies On The Electronic Structure And Properties Of The Ligand-Free Transition-Metal Clusters
3. Density Functional Theoretical Study For Adsorption Behaviors Of Complex Fluids Within Porous Media
4. A Time Dependent Density Functional Theoretical Studies Of The Ruthenium(Ⅱ) Complexes
5. Matrix Isolation Infrared Spectroscopic And Theoretical Studies On The Reactions Of Transitional Metal Mono- And Dioxides With Monochloromethane
6. A Density Functional Theoretical Study Of M20 (PMe3)4 (M=Cu, Ag, Au)
7. Density Functional Theoretical Study On Reaction Mechanism Of Hexachlorocyclotriphosphazene
8. Density Functional Theoretical Research On Adsorption Of Heavy Metal Cadmium And Zine Ions And PFOS And PFOA On Rutile(110)
9. Density Functional Theoretical Study Of Some Porphyrin Compounds
10. Density Functional Theoretical Research On Adsorption Of Heavy Metal Cadmium And Zine Ions And Pfos And Pfoa On Rutile(110)
11. Matrix Isolation Infrared Spectroscopic And Theoretical Studies Of The Reactions Of Group V Metal Oxides Molecules With Dihydrogen And Dinitrogen
12. A Density Functional Theoretical Study Of The Spin Forbidden Reactivity Of The Activation Of NH3and Circularly Catalyzed N2O/CO Molecules By Lanthanides Transition Metal In The Gas-phase
13. Spectra And Density Functional Theoretical Studies Of The Structures Of Bi-metallothionein, Pb-metallothionein And As-metallothionein
14. Solvent-dependent Excited State Structure Dynamics Of 2,5 Substituted 1,3,4-thiadiazole
15. Study On The Reactivity Of Kerogen In Oil Shale Based On The Kerogen Abstraction And Molecular Structure
16. Studying On The Fragmenttaion Reaction Of Pyridinylamides In Mass Spectrometry
17. Thoeretical Study Of The Pyrolysis Mechanism Of Oil Shale Kerogen Molecule In The First Step
18. Theoretical Study Of CO2 Reduction Reaction Catalyzed By An Additional Electronic System
19. Density Functional Theoretical Study Of Thermodynamic And Mechanical Properties Of (ZrTaNbTi)C At High Temperature
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