Revealing non-covalent interactions in solids: NCI plots revisited.


In this article, the NCI method [Johnson et al., J. Am. Chem. Soc., 2010, 132, 6498] for plotting and analysing non-covalent interactions (NCI) is extended to periodic (solid-state) electron densities and implemented in the critic program. The new code uses self-consistent electron densities from a variety of electronic structure methods (pseudopotentials… (More)
DOI: 10.1039/c2cp41395g