1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF118_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93916542; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF119_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93885808; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF12_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93709986; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF264_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93707170; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF272_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93725837; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF278_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93701928; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF268_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93721801; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF283_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93712750; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF271_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93726069; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF279_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2149.93720864; Eh
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