1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF212_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91149451; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF199_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90939353; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF201_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91383806; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF200_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91454613; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF25_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90962229; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF20_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91103705; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF22_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90932230; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF2_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90836435; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF60_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91288229; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF64_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90980769; Eh
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