1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF305_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15783354; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF307_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16466721; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF311_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16375056; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF309_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16450379; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF306_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16406699; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF31_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16162412; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF68_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16178251; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF70_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16368448; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF72_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.16409537; Eh
thumbnail.jpeg29-Jun-2025Cyhalothrin_gamma_CONF73_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1928.15601530; Eh
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