1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF29_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.72788928; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF252_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.72968068; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF294_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73103572; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF82_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73035746; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF85_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73137007; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF89_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73160561; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF81_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.72850172; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF84_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73145363; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF86_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73142223; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF8_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73111978; Eh
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