On the Nature of Interplay among Major Flexibility Channels in Molecular Rotors

<div>2D PES due to single (S1-bond) twisting (a) and double (C9-C19 bond) twisting angles (b). ORCA: BP86 D3 RIJCOSX DEF2-SVP DEF2/JK TIGHTSCF. Orca computation results are graphically represented using Spartan’16 GUI.</div>

Journal of Chemistry

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Figure 11

Figure 11: On the Nature of Interplay among Major Flexibility Channels in Molecular Rotors 