Table 2. Calculated chiro-optical properties for DNA tetramers/ωB97XD/6-31G(d) + solvent=water
System [α]589 ECD spectrumb System [α]589 ECD spectrumb
Z-(CGCG) -65 Z-d(CGCG)2 +62
B-(CGCG) +3 B-d(CGCG)2 -137
Z-(ATAT) -21 Z-d(ATAT)2 +109
B-(ATAT) +85 B-d(ATAT)2 -63