1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF65_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91202039; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF67_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91265672; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF59_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91060366; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF62_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91032763; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF68_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91299058; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF61_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91182707; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF6_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91044046; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF37_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93891633; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF39_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93915307; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_beta_CONF38_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93896010; Eh
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