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Keyword [B3LYP]
Result: 1 - 20 | Page: 1 of 4
1. Theoretical Studies For Reaction Of Allylic Tin With Formaldehyde Promoted By SnCl4 And Cyclization Of 1, 6-Enyne Catalyzed By GaCl3
2. Theoretical Investigation On Organic Molecules-Catalyzed Reaction And Organic Functionalization On The Si(100)-2×1 Surface Using DFT Methods
3. Theoretical Investigation On The Mechanism Of CO2 Hydrogenation Catalyzed By Ni
4. The Study On 1-Methylcyclopropene And Its Inclusion Complex
5. Steric Effects Promoted Intermolecular C—H…O Hydrogen Bonds In Solution
6. B3LYP Hybrid Density Functional Study On Some New Materials
7. Theoretiacal Investigation On Organic Reaction And Organic Molecules-catalyzed Reaction Using DFT Methods
8. Accurate Prediction Of Heats Of Formation By A Combined Method Of DFT And Neural Network Correction
9. Theoretical Study On Nuclear Magnetic Resonance Spectra Of TMS,Three-ring Compounds And Isoflavone Derivatives
10. Theoretical Study Of Molecular Structure And Hyperfine Structure Of Radical Ions
11. Theoretical Study On Nuclear Magnetic Resonance Spectra Of Metallorganic Compounds
12. Theoretical Studies On The Stereoselectivities In The Enantioselective Reductions Of Prochiral Ketones Catalyzed By Oxazaborolidines
13. A Density Functional Study Of Small Molecule Adsorption On GaN(0001) Surface
14. Synthesis Of Fulleropyrrolidine Derivatives And Their Theoretical Studies
15. Theoretical Study Of The Electronic Spectrum Property Of Complex With 8-hydroxyquinoline Boron
16. Conformation, Spectra And Property Study Of Photochromic Compound: 1-phenyl-3- Methyl-4-(4-bromobenzal) Pyrazolone-5 Thiosemicarbazone
17. Theoretical Study On The Spin-spin Coupling Constant Of Indirectly Bonded Atoms
18. Quantum Chemical Studies Of Structure-Activity Relationship Of Hydroxyl-benzene Sulfonamides Compounds
19. Quantum Chemistry Studies On The Direct Aldol Reactions Between Acetone And Aldehydes Catalyzed By Proline And It Derivatives
20. Photodissociation Spectra Of The Complex Mg～+-NCSCH3 And Mg～+-S2(CH3)2
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