Importance of the Electron Correlation and Dispersion Corrections in Calculations Involving Enamines, Hemiaminals, and Aminals. Comparison of B3LYP, M06-2X, …

A Castro-Alvarez, H Carneros, D Sanchez…

文献索引：Boehme; Sadanandam Archiv der Pharmazie, 1973 , vol. 306, # 3 p. 227 - 236

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被引用次数: 2

摘要

... Volume: Page: ... Aldehyde 5. For the sake of comparison, the reaction yielding enamine 5b from 3-methylbutanal and the Jørgensen–Hayashi catalyst (henceforward J–H, see b)(1, 17) is shown in Table 3. Whereas the B3LYP/6-311+G(d,p) numbers predict ...