1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF39_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92540328; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF41_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92348935; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF40_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92481415; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF38_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92522858; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF4_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92333848; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF129_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91278492; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF136_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91336403; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF135_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91351505; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF130_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91357190; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF133_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91393317; Eh
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