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A representative plot can be found in Supporting Information Figure 1.
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A representative plot can be found in Supporting Information Figure 1.
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A comparative plot of vdW-DF and QC stacking energies for DNA base pair steps can be found in Supporting Information Figure 2
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2 has shown that, for most systems (including DNA), the additional electronic density rearrangement produced by the self consistency of the vdW interaction is negligible at typical nuclear separations, thus enabling this less expensive perturbation method to be applied.
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A complete table of vdW-DF interaction energies and preferred Twist and Rise parameters for the nucleobases studied can be found in Supporting Information Table 1
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Top and side views of the thymine methyl contacts can be found in Supporting Information Figure 3.
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