1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF287_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91199313; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF29_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91287319; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF28_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91286404; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF3_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.90830665; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF111_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93913944; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF113_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93935440; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF122_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93859495; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF121_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93891317; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF110_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93910424; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF112_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93454889; Eh
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