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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required3-May-2019Ru-8-OHCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2396.60739850; Eh
Login required3-May-2019Ru-1-OH-freq-dispb-dispersionCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1845.2850064; Eh
Login required3-May-2019Ru-5-OHCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1618.54083492; Eh
Login required3-May-2019tpssh-Co-16-H2O-IICraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.75801030; Eh
Login required3-May-2019Fe-14-VAC-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1041.68796768; Eh
Login required3-May-2019Ru-1-O-dispersionCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1844.4275147; Eh
Login required3-May-2019Ru-1-O4-dispersionCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1844.6421992; Eh
Login required3-May-2019Ru-3-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1691.65585877; Eh
Login required3-May-2019Cu-15-OOHCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1504.48770743; Eh
Login required3-May-2019Ru-1-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point TSUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1920.32745988; Eh
Results 11-20 of 195 (Search time: 0.001 seconds).