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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Jul-2019/dispersion/Mn_10/Evac dispersion_Mn-10-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1266.8104597; Eh
Login required1-Jul-2019/dispersion/Ni_17/Eo dispersion_Ni-17-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2380.6143515; Eh
Login required1-Jul-2019/dispersion/dimers/Ru_2/dispersion_o5 Ru-2-O-O-dimer-dispersionCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point Structure-LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)-3752.96444105; Eh
Login required1-Jul-2019/dispersion/Mn_12/Eo dispersion_Mn-12-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point Structure-LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)-
Login required1-Jul-2019/dispersion/dimers/Ru_2 dispersion_Ru-2-O-O-dimer-dispersionCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3752.9500935; Eh
Login required1-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
Login required1-Jul-2019/dispersion/Ru_8/Evac dispersion_Ru-8-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2320.9607824; Eh
Login required1-Jul-2019/dispersion/Ru_7/Evac dispersion_Ru-7-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1709.277419; Eh
Login required1-Jul-2019/dispersion/Ru_9/Evac dispersion_Ru-9-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1908.3794839; Eh
Login required1-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
Results 21-30 of 83 (Search time: 0.002 seconds).