The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.
Abstract
Algorithms for a finer description of cavities in continuous media and for a more efficient selection of sampling points on the cavity surface are described. Applications to the evaluation of solute surface and volume and to the calculation of the solute‐solvent electrostatic interaction energy, as well as of the cavitation energy are shown as examples.
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Citations
Cites
Hermann, R. B. (1972) · The Journal of Physical Chemistry · doi:10.1021/j100663a023 · Cited by 700
Cited by
te Velde, G., Bickelhaupt, F. M., Baerends, E. J., Fonseca Guerra, C., van Gisbergen, S. J. A., Snijders, J. G., & Ziegler, T. (2001) · Journal of Computational Chemistry · doi:10.1002/jcc.1056 · Cited by 10,152
Metadata
- Authors
- Pascual‐Ahuir, J. L., Silla, E., Tomasi, J., & Bonaccorsi, R.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 1987-09
- Volume
- 8
- Issue
- 6
- Pages
- 778-787
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2149469850
- Cited by
- 355
- References
- 1
- FWCI
- 2.64
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
