1. Barcelona Supercomputing Center

Browsing by Subject hydrazone ligands

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Showing results 1 to 12 of 12
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2025/OPT 1Zlatar, MatijaAMS; 2022.102; r103598FrequenciesBP86--283.576646; eV
thumbnail.jpeg23-Jul-2025/OPT 2Zlatar, MatijaAMS; 2022.102; r103598FrequenciesBP86--236.501302; eV
thumbnail.jpeg23-Jul-2025/OPT 3Zlatar, MatijaAMS; 2022.102; r103598FrequenciesBP86--168.634564; eV
thumbnail.jpeg23-Jul-2025/OPT 4Zlatar, MatijaAMS; 2022.102; r103598FrequenciesBP86--260.820064; eV
thumbnail.jpeg23-Jul-2025/OPT 5Zlatar, MatijaAMS; 2022.102; r103598FrequenciesBP86--284.730809; eV
thumbnail.jpeg23-Jul-2025/OPT 6Zlatar, MatijaAMS; 2022.102; r103598FrequenciesBP86--286.799629; eV
thumbnail.jpeg23-Jul-2025/XraySP 1Zlatar, MatijaAMS; 2022.102; r103598Single point-TZP-405.069434; eV
thumbnail.jpeg23-Jul-2025/XraySP 2Zlatar, MatijaAMS; 2022.102; r103598Single point-TZP-335.744491; eV
thumbnail.jpeg23-Jul-2025/XraySP 3Zlatar, MatijaAMS; 2022.102; r103598Single point-TZP-248.351885; eV
thumbnail.jpeg23-Jul-2025/XraySP 4Zlatar, MatijaAMS; 2022.102; r103598Single point-TZP-373.204002; eV
thumbnail.jpeg23-Jul-2025/XraySP 5Zlatar, MatijaAMS; 2022.102; r103598Single point-TZP-404.792228; eV
thumbnail.jpeg23-Jul-2025/XraySP 6Zlatar, MatijaAMS; 2022.102; r103598Single point-TZP-409.403516; eV
Showing results 1 to 12 of 12