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Keyword [B3LYP]
Result: 21 - 40 | Page: 2 of 4
21. Simulation For The Absorption And Emission Spectra Of Cu～I Complexes
22. Quantum Chemistry Studies On The Stereoselectivity Of Diffierent Aldehydes In The Direct Aldol Reactions
23. Theoretical Studies On The Annular Bonron Nitride Clusters
24. B3LYP-SVM Method For Estimation Of Molecular Enthalpies Of Formation
25. Theoretical Investigation On Mechanisms Of Rh(Ⅱ)Carbene O-H, S-H Insertion
26. Quantum Chemistry Studies On The Mechanism Of Baylis-Hillman Reaction
27. Density Functional Theory Study On The Structures, Stabilities And Solvent Effects Of Na～+-AD Ion-complexes
28. The Experimental And Theoretical Studies Of Raman Spectra Of 2,2'-bipy In Acidic Solution And 2,2'-bipy On Gold
29. Study On The Structures And Properties Of Quercetin And Some Other Flavonoids
30. The Theoretical Studies On The Novel Molecules With Poly-cage And Hetero-cage Like Structure
31. Theoretical Design Of Blue Emitting Materials Based On Spirosilabifluorene Derivatives
32. Theoretical Study On Doped Carbon Clusters CnBi-(n=1-11) And CnF3-(n=1-9)
33. Theoretical Study On The Conformers Of Aspartic Acid And The Interaction Mechanism Between Al3+ And Aspartic Acid
34. Study On Synthesis And Properties Of Polyglyceryl Amines Surfactants
35. Correction Study Of Density Functional Theory Based On Statistical Methods
36. A DFT Study Of Mechanism For The Ramberg-b(?)cklund Reaction
37. Regulation Effect Of Water Molecules On Structures And Properties Of Protonated Glycine-Praline Dimers
38. Chemical Synthesis Of Designed Precursors With Thiolate Ligands To Binary And Ternary Semiconducting Crystalline Materials
39. DFT Study On Catalytic Hydrogenation Of Ru (Ⅵ) Re (Ⅴ) With High Oxidation State
40. Quantum Chemical Modeling Of Reaction Mechanism Of Isoaspartyl Dipeptidase
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