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Keyword [Two State Reactivity]
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1. Quantum Chemical Study On Two-State Reactivity Of Small Molecules
2. Theoretical Study Of The Reaction Of First-row Transition-metal Ions (M~+) With CS2 And OCS In Gas Phase
3. Theoretical Study Of Activation H-H σ Bond, C-H And C-C Bonds Of Hydrocarbons By CrO2~+ In The Gas Phase
4. Theoretical Study Of The Reactivity Of Transition Metal Ions With CO2 And N2O In The Gas Phase
5. Theoretical Study Of Activation C-X(X=F, O And C) Bond Of Small Organic Compound By La~+, Lu~+, Ti~+ And VO2~+ In The Gas Phase
6. Theoretical Study Of Activation C-X (X=H And C) N-H Bond Of Small Organic Compound By VO2+ And W In The Gas Phase
7. Theoretical Study Of The Reactivity Of Transition Metal Ions With CO2, N2O And CH4 In The Gas Phase
8. A Density Functional Theory Study Of The Spin-forbidden Reactivity Of The Activation Of CH4 By Transition Metal
9. Theoretical Investigation For The Cycle Reaction Of Methane Oxidation Catalyzed By FeO+and The Reaction Of CH4with NH3Catalyzed By Pt+in The Gas Phase
10. A Density Functional Theory Study Of The Spin-forbidden Reactivity Of The Activation Of Ch4 By Transition Metal
11. Theoretical Study For The Reaction Of N12o (x1Σ+) With Co (1Σ+) Catalyzed By IrOn+(n=1,2) And The Oxidization Reaction Of Nh3Catalyzed By Fe+in The Prese
12. The DFT Study On C-C And C-H Bond Activated By Transition Metal
13. A Density Functional Theory Study Of The Spin-forbidden Reactivity Of The Activation Of C2H4by Transition Metal
14. 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
15. Theoretical Investigation For The Cycle Reaction Of Small Molecules Catalyzed By Transition Metal
16. Theoretical Study Of The Mechanism For The Cycle Reaction Of N2O And CH4Catalyzed By Fe+, Co+, Ni+to Yield CH3OH In The Gas Phase
17. Density Functional Theory Study Of Two State Reactivity Of NO Activation On Iron Clusters Fe2/Fe4
18. Theoretical Investigation Of Transition Metal Catalytic Activity For The Reaction Of CO2 Hydrogenation In Gas Phase
19. Modeling Of Reaction Of NO/SO2 With Fe6/Fe2 By Quantum Chemical Theory
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