1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF177_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16385336; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF178_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16325590; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF180_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15533308; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF182_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16406627; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF184_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16361121; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF183_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16325059; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF18_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15785822; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF19_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15885131; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF315_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16408039; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF313_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16488028; Eh
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