1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF112_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90827882; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF113_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91324779; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF116_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91278743; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF100_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91325766; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF11_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91181357; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF278_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91230750; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF285_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91264820; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF299_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91187156; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF279_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91292455; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF289_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91307061; Eh
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