1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF148_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16617554; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF151_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15923842; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF156_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15896512; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF158_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16594906; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF359_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16268296; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF377_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16342974; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF350_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16469492; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF358_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16257611; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF366_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16376873; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF383_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16342410; Eh
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