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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required3-May-2019bp86-Co-16-OH-III-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.15919352; Eh
Login required3-May-2019bp86-Ru-9-OOHREDOXEDCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2059.31048657; Eh
Login required3-May-2019bp86-Ru-9-OOHREDOXED-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2059.31048657; Eh
Login required3-May-2019bp86-Ru-2-H2O-IICraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1877.87350192; Eh
Login required3-May-2019bp86-Co-16-OH-IIICraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.15919353; Eh
Login required3-May-2019bp86-Ru-2-H2O-II-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1877.87350192; Eh
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