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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/48823
A cartography of the Van der Waals territory
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The 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.
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ÁLVAREZ, Santiago (Álvarez Reverter). A cartography of the Van der Waals territory. Dalton Transactions. 2013. Vol. 42, num. 8617-8636. ISSN 1477-9226. [consulted: 18 of August of 2026]. Available at: https://hdl.handle.net/2445/48823