1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF37_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91363622; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF39_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91235870; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF42_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91228780; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF41_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91165794; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF156_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93624942; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF157_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93667088; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF159_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93867096; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF164_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93911392; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF166_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93653288; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF169_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93950221; Eh
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