1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-May-2024c3ab-cmdb-irc-rm-optCambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1545.12859523; Eh
thumbnail.jpeg7-May-2024c3ab-cmda-irc-rm3Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1545.13543041; Eh
thumbnail.jpeg7-May-2024c3ab-cmdb-irc-fmCambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1545.12368307; Eh
thumbnail.jpeg7-May-2024c5ab-cmdb-irc-fmCambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1545.13207038; Eh
thumbnail.jpeg7-May-2024c3ab-cmdb-irc-rmCambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1545.12859533; Eh
thumbnail.jpeg7-May-2024c5ab-cmdb-irc-rmCambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1545.12250704; Eh
thumbnail.jpeg7-May-2024c5ab-cmda-pre1Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1742.76709490; Eh
thumbnail.jpeg7-May-2024c3ab-cmdb-pre4Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1742.76693709; Eh
thumbnail.jpeg7-May-2024c3ab-cmdb-pre3Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GEN-1742.78206904; Eh
Login required17-May-2024/thermal/Fe4Mn1/c2 c2-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2TZVP DEF2SVP GEN-10597.6640521; Eh
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