1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF134_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91430220; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF13_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90987829; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF128_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91441747; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF126_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91445653; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF332_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91214322; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF336_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91249655; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF323_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91252187; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF340_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91262157; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF35_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91287958; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF36_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91286370; Eh
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