A cartography of the van der Waals territories.
By Santiago Alvarez. Dalton Transactions, 2013
1,224 citations recorded by the source corpus.
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 E···X 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 d(3) 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.
Subfields: Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/ec91b1d5d4013593860601055ff020f19aed919f
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Citations in the corpus
- The RING 2.0 web server for high quality residue interaction networks (2016, background): “Generally, only Carbon– Carbon and Carbon–Sulphur pairs are considered valid VDW interactions and evaluated using atom surfaces, i.e. subtracting the atom radius, 1.89 ˚A for sulphur and 1.77 ˚A for carbon (26), from the atomic distance.”
- 3D deep convolutional neural networks for amino acid environment similarity analysis (2017, background): “Non-polar amino acids tend to have higher prediction accuracies than the polar amino acids by our 3DCNN. Hydrophobic interactions, such as pi-stacking, are often formed within shorter spatial distances than electrostatic interactions between polar amino acids [50, 51].”