1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF29_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16103644; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF3_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15726423; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF79_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15941093; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF74_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15960801; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF77_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15928667; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF78_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15719901; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF82_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15947549; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF83_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15965022; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF85_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15689283; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF8_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16199434; Eh
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