1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF36_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2279.56065018; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF28_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2279.55864166; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF29_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2279.55868544; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF6_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2279.56008400; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF8_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2279.55759375; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF3_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2279.56002147; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF172_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91397294; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF175_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91433836; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF188_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91450577; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF190_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91084582; Eh
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