1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF140_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16409665; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF142_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16469676; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF137_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16267961; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF141_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16495295; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF145_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16485103; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF138_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16465684; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF139_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16224732; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF14_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16312173; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF248_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16354090; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF250_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16287998; Eh
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