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Beilstein J. Org. Chem. 2011, 7, 145–150, doi:10.3762/bjoc.7.20
Graphical Abstract
Figure 1: Four low energy conformations of 4-propylaniline obtained from B3LYP/6-31G* conformational search a...
Figure 2: Plot of the mean calculated error arising from fitting the population distribution of conformers 1a...