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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Eo dispersion_Fe-13-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2495.2513901; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_12/Evac dispersion_Mn-12-VAC-octet-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1919.7067709; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_12/Eooh dispersion_Mn-12-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2070.6640506; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_11/Eooh dispersion_Mn-11-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1378.042977; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_11/Eoh dispersion_Mn-11-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1302.9062713; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_10/Eo5 dispersion_Mn-10-O-dispbffCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1341.7640521; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Ru_8/Eoh dispersion_Ru-8-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2396.7805033; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Ru_4/Eo/dispersion_newrun Ru-4-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1504.606245; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Ru_4/Eooh dispersion_Ru-4-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1580.3866168; Eh
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