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. 2007 Apr;16(4):761–764. doi: 10.1110/ps.062609607

Figure 2.

Figure 2.

The DFT density change upon polarization for a single O…H-N hydrogen bond, with green mesh showing increased electron density around the oxygen atom, and red mesh showing diminished electron density around the hydrogen atom. Shown is the difference between the density in the infinite crystal and the density computed for isolated layers superimposed back onto the crystal structure.