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 |