Summary of Quantum Chemical Calculations.

Abstract

<p>Plot of calculated (<b>A</b>) carbonyl C chemical shielding () and (<b>B</b>) dipole-dipole interaction energy () as a function of the distance between donor oxygen and acceptor carbon () and the angle between carbonyl groups (). See also <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0042075#pone.0042075.s003" target="_blank">Figure S3</a>.</p