1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF129_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16490211; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF130_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16569252; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF131_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16514153; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF132_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16548292; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF126_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16447918; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF127_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16474255; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF133_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16568043; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF13_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16309985; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF125_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16526639; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF327_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16463237; Eh
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