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. 2016 Nov 7;6:36682. doi: 10.1038/srep36682

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Copyright © 2016, The Author(s)

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Lowest and highest energy conformations obtained at the B3LYP/6-31G(d) level of theory as described in the text for representative fragments of compounds 1 (a), 2 (b), 3 (c) and 4 (d). Colour coding refers to the element type in question (white = H, grey = C, blue = N, red = O).