1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF174_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73222043; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF182_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73228240; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF178_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73336848; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF480_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73306537; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF531_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.72904264; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF537_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73226900; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF466_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73232344; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF51_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.72936916; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF54_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.72967930; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF449_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73333521; Eh
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