1. Barcelona Supercomputing Center

Browsing by Subject Hydrazones

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Showing results 1 to 20 of 75  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required7-May-2024/DMSO/Opt-freq AzideZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--26.664946; eV
Login required7-May-2024/DMSO/Opt-freq DMSOZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--49.777181; eV
Login required7-May-2024/DMSO/Opt-freq LZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--208.412461; eV
Login required7-May-2024/DMSO/Opt-freq OCNZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--27.649223; eV
Login required7-May-2024/DMSO/Opt-freq Zn-2LZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--413.144450; eV
Login required7-May-2024/DMSO/Opt-freq Zn-L-2AzZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--257.433000; eV
Login required7-May-2024/DMSO/Opt-freq Zn-L-2DMSOZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--303.274610; eV
Login required7-May-2024/DMSO/Opt-freq Zn-L-2NCOZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--259.537847; eV
Login required7-May-2024/DMSO/Opt-freq Zn-L-2OCNZlatar, MatijaAMS; 2023.104; r115785FrequenciesBP86--258.542496; eV
Login required7-May-2024/DMSO/SP Azide_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-39.667844; eV
Login required7-May-2024/DMSO/SP DSMO_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-72.406591; eV
Login required7-May-2024/DMSO/SP L_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-296.785954; eV
Login required7-May-2024/DMSO/SP OCN_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-40.110576; eV
Login required7-May-2024/DMSO/SP Zn-2L_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-589.414924; eV
Login required7-May-2024/DMSO/SP Zn-L-2NCO_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-372.728238; eV
Login required7-May-2024/DMSO/SP Zn-L-2OCN_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-371.873069; eV
Login required7-May-2024/DMSO/SP Zn-L-Az_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-371.717615; eV
Login required7-May-2024/DMSO/SP Zn-L-DMSO_spZlatar, MatijaAMS; 2023.104; r115785Single pointTZP-436.533665; eV
Login required7-May-2024/EDA ZnL-2AzZlatar, MatijaAMS; 2023.104; r115785Single pointBP86--17.585937; eV
Login required7-May-2024/EDA ZnL-2NCOZlatar, MatijaAMS; 2023.104; r115785Single pointBP86--17.903153; eV
Showing results 1 to 20 of 75  next >