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. Author manuscript; available in PMC: 2015 Oct 21.
Published in final edited form as: Phys Chem Chem Phys. 2014 Feb 17;16(21):10112–10128. doi: 10.1039/c3cp54724h

Figure 6.

Figure 6

Anharmonic IR spectra of adenine dimers computed with B3LYP-D3 method, compared with IR spectrum of isolated adenine molecule, in the 800-3600 cm−1 energy range, along with the assignment of most pronounced bands. Theoretical spectra line-shapes have been convoluted with Lorentzian functions with a HWHM of 1 cm−1.