Skip to main content
. 2018 Jan 8;14:84–105. doi: 10.3762/bjoc.14.5

Figure 12.

Figure 12

Minimal model to be considered to simulate the ICD spectrum of an intercalated ligand. ICD will be dominated by the intrinsic chirality of the ligand plus the nondegenerate exciton coupling with the most immediate nucleobase pairs (1st sphere). The following nucleobase pairs (2nd sphere) may possibly be neglected in the ECD calculations, but not in the input geometry generation.