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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-2019Ru-1-VAC-freq-dispfCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1769.36475680; Eh
thumbnail.jpeg3-May-2019Ru-6-VAC-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1363.78727790; Eh
thumbnail.jpeg3-May-2019Ru-6-VACCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1363.78727790; Eh
thumbnail.jpeg3-May-2019tpssh-Ru-2-H2O-II-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1877.84137545; Eh
thumbnail.jpeg3-May-2019tpssh-Ru-2-H2O-IICraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1877.84137545; Eh
thumbnail.jpeg3-May-2019Ru-3-VAC-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1540.69336406; Eh
thumbnail.jpeg3-May-2019Ru-3-VACCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1540.69336406; Eh
thumbnail.jpeg3-May-2019Ru-7-VAC-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1709.17578391; Eh
thumbnail.jpeg3-May-2019Ru-7-VACCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1709.17578391; Eh
thumbnail.jpeg3-May-2019Cu-15-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1504.48770743; Eh
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