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Figure 3. For the five studied molecules, each box contains bold figures corresponding to the heat of formation of the four calculated minima conformers. Between minima, hilltops are given (italics). Outside the boxes, the differences or rotation barriers can be found between the minima and hilltops. The benzamide rotation is given in the columns, and the acetanilide rotation results in the rows. All included figures are expressed in kcal mol-1.





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