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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Jul-2019/dispersion/Fe_13/Evac dispersion_Fe-13-2VACCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2420.0992846; 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/Eoh dispersion_Mn-12-OH-freqcCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1995.5285281; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_10/Eo4 dispersion_Mn-10-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1341.9929743; Eh
thumbnail.jpeg1-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
thumbnail.jpeg1-Jul-2019/dispersion/Cu_15/Eo dispersion_Cu-15-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1428.7151615; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Ni_17/Eoh dispersion_Ni-17-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2381.2899926; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_14/Eoh dispersion_Fe-14-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1117.619962; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_14/Eo4 dispersion_Fe-14-O4Craig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1116.9763008; 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
Results 21-30 of 697 (Search time: 0.002 seconds).