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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/CoFeIINO HS_Co(I)-vacHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3614.02993344; Eh
thumbnail.jpeg/CoFeIINO LS_Co(II)-vac_bentHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3614.02352444; Eh
thumbnail.jpeg/CoFeIINO HS_Co(II)-vac_bentHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3689.78826843; Eh
thumbnail.jpeg/CoFeIINO HS_Co(II)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3689.78898080; Eh
thumbnail.jpeg/CoFeIINO LS_Co(II)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3689.78826843; Eh
thumbnail.jpeg/CoFeIINO HS_Co(II)-OHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3689.14370934; Eh
thumbnail.jpeg/CoFeIINO LS_Co(II)-OHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3689.12875033; Eh
thumbnail.jpeg/CoFeIINO HS_Co(II)-OOHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3764.87104950; Eh
thumbnail.jpeg/CoFeIINO LS_Co(II)-OOHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3764.87058893; Eh
thumbnail.jpeg/CoFeII HS_Co(I)-vacHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3577.11436472; Eh
thumbnail.jpeg/CoFeII LS_Co(II)-vacHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3577.11296712; Eh
thumbnail.jpeg/CoFeII HS_Co(II)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.87492826; Eh
thumbnail.jpeg/CoFeII LS_Co(II)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.87178900; Eh
thumbnail.jpeg/CoFeII HS_Co(II)-OHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.23019522; Eh
thumbnail.jpeg/CoFeII LS_Co(II)-OHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.21184404; Eh
thumbnail.jpeg/CoFeII HS_Co(II)-OOHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3727.95724519; Eh
thumbnail.jpeg/CoFeII LS_Co(II)-OOHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3727.95287384; Eh
thumbnail.jpeg/CoFeIII HS_Co(II)-vacHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3576.96258555; Eh
thumbnail.jpeg/CoFeIII LS_Co(II)-vacHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3576.96975056; Eh
thumbnail.jpeg/CoFeIII LS_Co(III)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.70352644; Eh
thumbnail.jpeg/CoFeIII IS_Co(III)-OHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.68179809; Eh
thumbnail.jpeg/CoFeIII LS_Co(III)-OHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.03177356; Eh
thumbnail.jpeg/CoFeIII IS_Co(III)-OHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3652.02683697; Eh
thumbnail.jpeg/CoFeIII LS_Co(III)-OOHHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3727.78889657; Eh
thumbnail.jpeg/CoFeIII LS_Co(II)-OOH_doubletHegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01UTPSShDEF2TZVP DEF2SVP GEN-3727.77744927; Eh
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