The Impact of Perfluoroalkyl Groups on Phosphane Basicity
| dc.contributor.author | Pikma, Marta-Lisette | |
| dc.contributor.author | Trummal, Aleksander | |
| dc.contributor.author | Leito, Ivo | |
| dc.contributor.author | Kütt, Agnes | |
| dc.coverage.spatial | Estonia | en |
| dc.date.accessioned | 2025-03-27T08:42:49Z | |
| dc.date.available | 2025-03-27T08:42:49Z | |
| dc.date.issued | 2025 | |
| dc.identifier.uri | https://datadoi.ee/handle/33/670 | |
| dc.identifier.uri | https://doi.org/10.23673/re-508 | |
| dc.description.abstract | The dataset for the article "The Impact of Perfluoroalkyl Groups on Phosphane Basicity" includes optimized geometries of the studied compounds, calculation output files, and an Excel file containing the calculated properties. | en |
| dc.format | XLSX | en |
| dc.format | ZIP | en |
| dc.format | TXT | en |
| dc.format | R | en |
| dc.language.iso | en | en |
| dc.publisher | University of Tartu Institute of Chemistry | en |
| dc.relation | PRG1736 | en |
| dc.relation | TK210U1 | |
| dc.rights | info:eu-repo/semantics/openAccess | en |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
| dc.subject | Phosphanes | en |
| dc.subject | Perfluoroalkyl group | en |
| dc.subject | Basicity | en |
| dc.subject | COSMO-RS | en |
| dc.subject | DFT calculations | en |
| dc.subject | SMD model | en |
| dc.title | The Impact of Perfluoroalkyl Groups on Phosphane Basicity | en |
| dc.type | info:eu-repo/semantics/dataset | en |
Files in this item
This item appears in the following Collection(s)
Except where otherwise noted, this item's license is described as info:eu-repo/semantics/openAccess