1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF52_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1928.17542690; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF53_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1928.17247117; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF55_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1928.17558096; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_CONF54_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1928.17574826; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF194_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15843250; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF195_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16375690; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF198_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16438631; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF199_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15896432; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF201_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16469963; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF202_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16014092; Eh
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