1. Barcelona Supercomputing Center

Browsing by Author Schön, Florian

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Showing results 1 to 10 of 10
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Mar-20211intII_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20211tsI_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213intI_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213intI_T_TZVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-
thumbnail.jpeg16-Mar-20213intII_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213tsI_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213tsII_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-2021N1+_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-2021N1+_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-2021N1+_T_TZVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-
Showing results 1 to 10 of 10