1. Barcelona Supercomputing Center

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Collection hits:
Collection Name
JMCC
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Jun-2026PBE-QIDH-NL_ad_meMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointRKSdef2-QZVP; AutoAux-428.85942959; Eh
thumbnail.jpeg11-Jun-2026PBE-QIDH-NL_p_meMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointRKSdef2-QZVP; AutoAux-233.92811212; Eh
thumbnail.jpeg11-Jun-2026PBE-QIDH-NL_pMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointRKSdef2-QZVP; AutoAux-194.05385218; Eh
thumbnail.jpeg11-Jun-2026PBE-DH-INVEST_tZMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointTDDFTaug-cc-pVTZ; aug-cc-pVTZ/C-494.60264016; Eh
thumbnail.jpeg11-Jun-2026PBE-DH-INVEST_dZMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointTDDFTaug-cc-pVDZ; aug-cc-pVTZ/C-494.49649845; Eh
thumbnail.jpeg11-Jun-2026SOS1-PBE-DH-INVEST_dZMaiz Pastor, PabloOrca; 5.0.3; RELEASESingle pointTDDFTaug-cc-pVDZ; aug-cc-pVTZ/C-494.49649852; Eh
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