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. 2021 Nov 18;11(11):3107. doi: 10.3390/nano11113107

Figure 4.

Figure 4

Snapshots of the periodic PI-HMDA cell before (a) and after the stretch process (b). The polymer layer was limited to 6 polymeric chains. The best fit plane and centroid options were used to obtain similar reference systems with adsorbed MBBA (c) and 5CB molecule (e). From the multiple outputs of the quench procedure, the system with the lowest energy was chosen for MBBA (d), and respectively, for 5CB (f).