1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF207_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15854215; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF20_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15712031; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF2_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15686337; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF290_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16482816; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF291_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16431043; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF293_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16419835; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF294_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16478626; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF295_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15951433; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF300_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16369313; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF289_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15957451; Eh
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