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181 to 190 of 613 Results
Comma Separated Values - 32.8 KB - MD5: a043118f6d2351b78f6981ac499389f8
Data for Figure5c
HTML - 1.7 KB - MD5: 07ba245d6a6d6b5ba42abf39d9532802
2026. aasta migratsiooni käigus varasemast DataDOI süsteemist üle kantud kasutusstatistika kajastab tegevust eelmises DSpace-põhises süsteemis ega näita Dataverse’i uusi kasutusandmeid. Usage statistics carried over from the previous DataDOI system as part of the 2026 migration reflect activity in the former DSpace-based system and do not represent...
Plain Text - 1.8 KB - MD5: cbedef12fa221110e0f2c2a32070ac94
Description of this dataset
Mar 27, 2025
Pikma, Marta-Lisette; Trummal, Aleksander; Leito, Ivo; Kütt, Agnes, 2025, "The Impact of Perfluoroalkyl Groups on Phosphane Basicity", https://doi.org/10.23673/RE-508, DATADOI, V1
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.
ZIP Archive - 591.6 KB - MD5: 100dd285480a6c8b003c06983ac0f1db
COSMO files
R Syntax - 3.5 KB - MD5: 869756a1e078f338de13baf855c1f109
R script for exact cone angle
ZIP Archive - 34.0 MB - MD5: 219e6041a7b592c97980334421fc0b2d
Gaussian .log files
HTML - 17.3 KB - MD5: baa655b30e8d851bca8c806fe76dbd7d
2026. aasta migratsiooni käigus varasemast DataDOI süsteemist üle kantud kasutusstatistika kajastab tegevust eelmises DSpace-põhises süsteemis ega näita Dataverse’i uusi kasutusandmeid. Usage statistics carried over from the previous DataDOI system as part of the 2026 migration reflect activity in the former DSpace-based system and do not represent...
ZIP Archive - 46.6 KB - MD5: b0e7609d97734d5183433655a4d29dac
Optimized geometries in the gas phase and in solvent
MS Excel Spreadsheet - 58.4 KB - MD5: c8469782ed767408fc15f3dbd01b6324
Corrected excel file with calculated properties
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