1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Allethrin_CONF222_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40616641; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF230_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40240580; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF231_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40559919; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF239_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40376114; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF195_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40628790; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF188_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40477589; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF21_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40697817; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF2_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40710977; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF287_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40225304; Eh
thumbnail.jpeg29-Jun-2025Allethrin_CONF317_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-965.40362322; Eh
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