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| Type: | Artigo |
| Title: | NMR spin–spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal 3JHFcoupling |
| Author: | Viesser, Renan V. Ducati, Lucas C. Autschbach, Jochen Tormena, Cláudio F. |
| Abstract: | The dependence of the magnitude and sign of 3JHFFon the bond angle in fluoro-cycloalkene compounds is evaluated by electronic structure calculations using different levels of theory,viz.DFT, SOPPA(CCSD) and SOPPA(CC2). Localized molecular orbital contribu |
| Subject: | Ressonância magnética nuclear Spin nuclear Estereoquímica Teoria do funcional de densidade |
| Country: | Reino Unido |
| Editor: | Royal Society of Chemistry |
| Citation: | Phisical Chemistry Chemical Physics. Royal Soc Chemistry, v. 18, p. 24119 - 24128, 2016. |
| Rights: | fechado |
| Identifier DOI: | 10.1039/C6CP04853F |
| Address: | https://pubs.rsc.org/en/content/articlelanding/2016/cp/c6cp04853f |
| Date Issue: | 2016 |
| Appears in Collections: | IQ - Artigos e Outros Documentos |
Files in This Item:
| File | Size | Format | |
|---|---|---|---|
| 000382107200075.pdf | 1.26 MB | Adobe PDF | View/Open |
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