Kinetic energy density per electron as quick insight into ring strain energies

An easy and computationally inexpensive way of estimating ring strain energies (RSE) is presented. It is based on the AIM-derived kinetic energy density per electron quantity, G(r)/p(r), computed at the ring critical point, which in general exhibits better linear correlation towards RSE than the previously reported method based on G(r) itself. (C) 2016 Elsevier Ltd. All rights reserved.