1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF48_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92529059; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF49_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92521376; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF50_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92506251; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF4_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92011508; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF40_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.92500092; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF154_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16629357; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF149_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16598138; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF150_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16612389; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF152_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16560897; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF153_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16608964; Eh
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