Charting Hydrogen Bond Anisotropy

<p>Interaction energies of hydrogen bonded dimers using quantum mechanics. Each dome is a systematic scan of interaction geometries, where a target molecule is kept fixed, and a probe is moved in spherical coordinates. Collectively, the positions of the probe look like a dome over the target molecule. There are about 2000 geometries in each dome.&nbsp;The goal is to see how the interaction energy depends on the geometry of the interaction.<br> <br> &nbsp;</p>