Guanine: A Combined Study Using Vibrational Spectroscopy and Theoretical Methods
Figure 2
(a) Optimised crystal cell structure of solid guanine calculated using LDA functional and PW methodology. The dashed lines along with the numbers represent the intermolecular H-bonding distance (measured in picometers). The distance between the two pairs of dimers is about 310.2 pm. (A) Oxygen atom from the upper guanine molecule. The remaining atoms were omitted. (b) Lateral view, along the b-axis, of the optimised unit cell.
