1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Bioallethrin_S_CONF277_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-965.41516201; Eh
thumbnail.jpeg29-Jun-2025Bioallethrin_S_CONF30_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-965.41769787; Eh
thumbnail.jpeg29-Jun-2025Bioallethrin_S_CONF278_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-965.41509009; Eh
thumbnail.jpeg29-Jun-2025Bioallethrin_S_CONF3_waterAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-965.41544298; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF147_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73295379; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF149_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73312846; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF126_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73219187; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF128_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73217800; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF130_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73276031; Eh
thumbnail.jpeg29-Jun-2025Bioresmethrin_CONF138_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1079.73301827; Eh
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