1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF191_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91449394; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF185_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91418422; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF179_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91461932; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF182_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91431341; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF348_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91250489; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF354_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91228888; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF357_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91297929; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF35_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91308278; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF36_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91287240; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF37_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91363622; Eh
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