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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-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
Login required1-Jul-2019/dispersion/Mn_11/Evac dispersion_Mn-11-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1227.0814108; Eh
Login required1-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
Login required1-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
Login required1-Jul-2019/dispersion/Ru_6/Eo5 dispersion_Ru-6-Oc-dispf2b-cartesianCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1438.8107522; Eh
Login required1-Jul-2019/dispersion/Ru_1/o5 dispersion_Ru-1-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1844.4275147; Eh
Login required1-Jul-2019/dispersion/Fe_14/Eooh dispersion_Fe-14-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1192.7671854; Eh
Login required1-Jul-2019/dispersion/Ru_3/Eoh dispersion_Ru-3-OH-freq-dispCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1616.6027426; Eh
Login required1-Jul-2019/dispersion/Mn_10/Eoh dispersion_Mn-10-OHb-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1342.6267394; Eh
Login required1-Jul-2019/dispersion/Ru_3/Eooh dispersion_Ru-3-OOH-dispCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1691.7552533; Eh
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