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A cartography of the van der Waals territories
Open accessAbstract
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.
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Shannon, R. D. (1976) · Acta Crystallographica Section A · doi:10.1107/s0567739476001551 · Cited by 66,145
Cited by
Mounet, N., Gibertini, M., Schwaller, P., Campi, D., Merkys, A., Marrazzo, A., Sohier, T., Castelli, I. E., Cepellotti, A., Pizzi, G., et al. (2018) · Nature Nanotechnology · doi:10.1038/s41565-017-0035-5 · Cited by 1,863
The Bright Future of Unconventional σ/π‐Hole Interactions
Bauzá, A., Mooibroek, T. J., & Frontera, A. (2015) · ChemPhysChem · doi:10.1002/cphc.201500314 · Cited by 710
Chalcogen bonding in synthesis, catalysis and design of materials
Mahmudov, K. T., Kopylovich, M. N., Guedes da Silva, M. F. C., & Pombeiro, A. J. L. (2017) · Dalton Transactions · doi:10.1039/c7dt01685a · Cited by 466
Hydrogen Bonds: Simple after All?
Herschlag, D., & Pinney, M. M. (2018) · Biochemistry · doi:10.1021/acs.biochem.8b00217 · Cited by 382
3D deep convolutional neural networks for amino acid environment similarity analysis
Torng, W., & Altman, R. B. (2017) · BMC Bioinformatics · doi:10.1186/s12859-017-1702-0 · Cited by 142
Metadata
- Authors
- Alvarez, S.
- Venue
- Dalton Transactions
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2013
- Volume
- 42
- Issue
- 24
- Pages
- 8617
- ISSN
- 1477-9226 (ISSN-L)
- 1477-9234
- OpenAlex
- W2021200484
- Cited by
- 1,586
- References
- 1
- FWCI
- 36.67
- Type
- journal article
- Language
- en
- Open access
- hybrid
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
