1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF23_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2279.52694993; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF26_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2279.52957518; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF20_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2279.52736621; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF25_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2279.53024817; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF19_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2279.52868953; Eh
thumbnail.jpeg29-Jun-2025Cycloprothrin_CONF2_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2279.53003876; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF104_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91324254; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF109_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91323025; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF108_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91396036; Eh
thumbnail.jpeg29-Jun-2025Cyfluthrin_CONF110_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-2149.91301843; Eh
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