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Figure 6
(a) Negative electrostatic potentials (in kJ mol−1) show that lactam and syn-amide are more electronegative that N-oxide coformers. (b) Lactam and syn-amide are less electropositive (in kJ mol−1) compared with other coformers. (c) Comparison of the positive and negative electrostatic potential energy. All the structures and energy values are displayed in Fig. S3 and Tables S2 and S3.

Volume 6| Part 4| July 2019| Pages 751-760
ISSN: 2052-2525