Álvarez, Santiago (Álvarez Reverter)2014-01-132013-05-011477-9226https://hdl.handle.net/2445/48823The distribution of distances from atoms of a particular element E to a probe atom X (oxygen in most cases), both bonded and intermolecular non-bonded contacts, has been analyzed. In general, the distribution is characterized by a maximum at short EX distances corresponding to chemical bonds, followed by a range of unpopulated distances the van der Waals gap and a second maximum at longer distances the van der Waals peak superimposed on a random distribution function that roughly follows a d3 dependence. The analysis of more than five million interatomic"non-bonded" distances has led to the proposal of a consistent set of van der Waals radii for most naturally occurring elements, and its applicability to other element pairs has been tested for a set of more than three million data, all of them compared to over one million bond distances.20 p.application/pdfengcc by-nc, (c) Álvarez, S. , 2013http://creativecommons.org/licenses/by-nc/3.0/es/Enllaços químicsForces intermolecularsChemical bondsIntermolecular forcesinfo:eu-repo/semantics/article6267362014-01-10info:eu-repo/semantics/openAccess23632803