Figure 4

Calculated chiro-optical properties for DNA tetramers. ^aComputed at geometries optimised at the ωB97XD/6-31G(d) level with with application of a SCRF solvent continuum field for water. Chiro-optical properties computed at the CAM-B3LYP/6-31G(d,p) level with application of a SCRF solvent continuum field for water. ECD spectra computed at the TD-DFT level, using Nstates = 25 and a linewidth of 0.14 with application of a SCRF solvent continuum field for water. Click on image to expand the view of the ECD spectrum. Click on expanded view of spectrum to access the digital repository entry for that spectrum. ^bECD spectra are presented as scalable-vector-graphical diagrams (SVG). To view, use an SVG-capable browser.