“Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density” (2017), by Corentin Lefebvre et al. Physics and Astronomy research paper. Original abstract below, unchanged. No free PDF was found.

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

Corentin Lefebvre, Gaëtan Rubez, Hassan K. Khartabil et al. · January 1, 2017 · Physics and Astronomy

Abstract

) is then derived that uniquely defines intermolecular interaction regions. An attractive feature of the IGM methodology is to provide a workflow that automatically generates data composed solely of intermolecular interactions for drawing the corresponding 3D isosurface representations.

Source page DOI: 10.1039/c7cp02110k