1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF137_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91466652; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF141_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91340886; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF142_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91385823; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF145_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91316825; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF146_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90773904; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF138_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91451705; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF147_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91451982; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF148_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91360804; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF15_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91192252; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF38_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91365660; Eh
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