Systematic Analysis of Substituent Effects: 1. Geminal and V…
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- DOI 10.1021/jp961684t
- OpenAlex ID W2075377113
- Type Article
- Language EN
- Published 01 Jan 1996
- Volume 100 (48)
- Pages 18725–18730
- Source The Journal of Physical Chemistry
- Publisher American Chemical Society
- FWCI 0.49
- Countries 2
- Institutions 2
- Added 10 Oct 2025
- Updated 06 Nov 2025
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Systematic Analysis of Substituent Effects: 1. Geminal and Vicinal Interactions in Fluorochloroethanes
Article 1996 EN
The contributions of individual substituents to properties of fluorochloroethanes are highly nonadditive. The nonadditivies can be accurately modeled with sums of terms describing geminal, gauche vicinal, and anti vicinal interactions between substituents. Such an approach, which requires 12 parameters per property, produces the total and zero-point energies and the lengths of the C−C bond with rm…
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2 authors| # | Author | Institutions | ORCID |
|---|---|---|---|
| 1 | Jerzy Ciosłowski | Florida State University (US) | |
| 2 | Tereza Varnalı | Boğaziçi University (TR) |
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