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Simulated 2D SFG spectra of four coupled thymine bases. (a) Configuration of four coupled bases with monomer orientation (ψi,θi) = (135°, 80°), and (b) corresponding simulated 2D SFG spectrum. (c) Oligo(dT) DNA segment from B-type dsDNA (PDB = 1D98) extending from surface in 5′ to 3′ direction and oriented for comparison to a. Spectra are plotted the same as the experimental spectra above.
