The DOI matches its Crossref record.
An improved set of mndo parameters for sulfur
Abstract
The MNDO parameters for sulfur have been reoptimized. Calculations for a number of sulfur compounds indicate a very significant improvement. Inclusion of d AOs failed to correct the errors for compounds of sulfur in its higher valence states. Since d AOs are not included, the calculations are still confined to compounds of divalent sulfur.
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Citations
Cited by
Simón, L., & Goodman, J. M. (2008) · Journal of the American Chemical Society · doi:10.1021/ja800793t · Cited by 295
Thiel, W., & Voityuk, A. A. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp952148o · Cited by 274
Fábri, C., Horný, Ľ., & Quack, M. (2015) · ChemPhysChem · doi:10.1002/cphc.201500801 · Cited by 28
Metadata
- Authors
- Dewar, M. J. S., & Reynolds, C. H.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 1986-04
- Volume
- 7
- Issue
- 2
- Pages
- 140-143
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2094134296
- Cited by
- 247
- References
- 0
- FWCI
- 5.39
- Type
- journal article
- Language
- en
- Open access
- closed
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How to cite
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- CoChat. (2026). Citation check: An improved set of mndo parameters for sulfur. https://app.cochat.ai/papers/10.1002/jcc.540070206
- The paper
- Dewar, M. J. S., & Reynolds, C. H. (1986). An improved set of mndo parameters for sulfur. Journal of Computational Chemistry. https://doi.org/10.1002/jcc.540070206
Data sources
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.
