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

Abstract

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

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Cite this paper

@article{OterodelaRoza2012RevealingNI, title={Revealing non-covalent interactions in solids: NCI plots revisited.}, author={A. Otero-de-la-Roza and Erin R. Johnson and Julia Contreras-Garc{\'i}a}, journal={Physical chemistry chemical physics : PCCP}, year={2012}, volume={14 35}, pages={12165-72} }