Sirvi Keemia instituudi andmed autori järgi "Pikma, Marta-Lisette"
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The Impact of Perfluoroalkyl Groups on Phosphane Basicity
Pikma, Marta-Lisette; Trummal, Aleksander; Leito, Ivo; Kütt, Agnes (University of Tartu Institute of Chemistry, 2025)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. -
pKaH values and θH angles of phosphanes to predict their electronic and steric parameters
Pikma, Marta-Lisette; Tshepelevitsh, Sofja; Selberg, Sigrid; Kaljurand, Ivari; Leito, Ivo; Kütt, Agnes (University of Tartu, 2024)Phosphanes have numerous important uses and at the same time are an important class of organic bases with basicities spanning more than 30 orders of magnitude. In many cases, their behaviour in specific applications depends ... -
Tris(benzophenoneimino)phosphane and related compounds
Pikma, Marta-Lisette; Lõkov, Märt; Tshepelevitsh, Sofja; Saame, Jaan; Haljasorg, Tõiv; Toom, Lauri; Selberg, Sigrid; Leito, Ivo; Kütt, Agnes (University of Tartu, Institute of Chemistry, Chair of Analytical Chemistry, 2023)The dataset includes files supporting the article named "Tris(benzophenoneimino)phosphane and related compounds". Monocrystal XRD data, calculated .cosmo files, calculated pKaH values for related and correlation compounds, ...