1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Allethrin_CONF240_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40395279; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF244_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40388548; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF246_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40326312; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF259_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40285464; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF260_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40405559; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF266_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40306144; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF270_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40384088; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF25_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40722610; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF28_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40265501; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF50_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40372026; Eh
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