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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Mar-2021N1+_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20211tsI_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20211intII_cS_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureRTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213intII_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg1-Jul-2019/dispersion/Cu_15/Eooh dispersion_Cu-15-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1504.5492823; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Co_16/Eo dispersion_Co-16-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1764.5726805; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Co_16/Evac dispersion_Co-16-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1689.4253085; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_14/Eo5 dispersion_Fe-14-O5Craig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1116.7373263; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_13/Eooh dispersion_Fe-13-OOHCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2571.0446319; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_13/Eoh dispersion_Fe-13-OHCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2495.9055379; Eh
Results 21-30 of 7761 (Search time: 0.003 seconds).