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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required3-May-2019bp86-Ru-9-OOHCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2059.15398479; Eh
Login required3-May-2019bp86-Ru-2-H2O-III-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1877.69144733; Eh
Login required3-May-2019bp86-Co-16-H2O-IICraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.76085449; Eh
Login required3-May-2019bp86-Mn-12-doublewaterminuselectronCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1995.96936275; Eh
Login required3-May-2019bp86-Ru-9-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2059.15398480; Eh
Login required3-May-2019bp86-Co-16-H2O-II-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.76085449; Eh
Login required3-May-2019bp86-Mn-12-doublewaterCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1996.15384402; Eh
Login required3-May-2019bp86-Ru-2-H2O-IIICraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUBP86lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1877.69144733; Eh
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