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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-2019Ru-1-O-O-dimer-dispersionCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-3688.9174071; Eh
thumbnail.jpeg3-May-2019Ru-1-O-O-dimer-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-3688.66724697; Eh
thumbnail.jpeg10-Aug-2020AlCo4-Eoh-b3lyp-ls-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7560.08706499; Eh
thumbnail.jpeg3-May-2019Ru-8-VAC-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2320.79553483; Eh
thumbnail.jpeg3-May-2019Ru-8-OH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2396.60739850; Eh
thumbnail.jpeg3-May-2019Ru-8-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2471.75007429; Eh
thumbnail.jpeg3-May-2019Mn-12-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2070.53792650; Eh
thumbnail.jpeg3-May-2019Mn-12-VAC-octet-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1919.59469967; Eh
thumbnail.jpeg3-May-2019Ni-17-VACCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point Structure-lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2305.35650182; Eh
thumbnail.jpeg3-May-2019Ni-17-VAC-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2305.35690425; Eh
Results 11-20 of 3563 (Search time: 0.007 seconds).