Skip to main content
. Author manuscript; available in PMC: 2020 May 8.
Published in final edited form as: J Mol Model. 2019 May 8;25(6):151. doi: 10.1007/s00894-019-4036-1

Fig. 2.

Fig. 2

Rotational barrier for the O3–C30–C28–C29 torsion of IN17. The polarizable continuum method (PCM [52]) was used to capture the solvent effect. All quantum mechanical (QM) energies were calculated using MP2/6–311 + G**, with rotations at every 30 degrees