Revisiting van der Waals Radii: From Comprehensive Structural Analysis to Knowledge‐Based Classification of Interatomic Contacts

Authors: Chernyshov I.Y., Ivan V. Ananyev, Pidko E.A.

Abstract

The front cover artwork is provided by the TheoMAT group of ITMO University (Russia) and the Inorganic Systems Engineering Group of Delft University of Technology (The Netherlands). The image illustrates how one can find the most probable interatomic distance and determine the van der Waals parameters for interatomic interaction from extended and diverse structural datasets. The new approach for background elimination and analysis of extended bulk structural datasets is reported in our paper.

DOI: 10.1002/cphc.201901083.

Read Full: https://onlinelibrary.wiley.com/doi/full/10.1002/cphc.202000089