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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required3-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
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-2019Ru-6-OOH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1514.75503285; Eh
Login required3-May-2019Ru-9-O5Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1983.18999325; Eh
Login required3-May-2019Ru-9-O4Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1983.41216866; Eh
Login required1-Jul-2019/dispersion/Cu_15/Eooh dispersion_Cu-15-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1504.5492823; Eh
Login required1-Jul-2019/dispersion/Mn_11/Evac dispersion_Mn-11-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1227.0814108; Eh
Login required1-Jul-2019/dispersion/Fe_13/Eo dispersion_Fe-13-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2495.2513901; Eh
Login required1-Jul-2019/dispersion/Fe_14/Eo5 dispersion_Fe-14-O5Craig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1116.7373263; Eh
Login required1-Jul-2019/dispersion/Ru_6/Eo5 dispersion_Ru-6-Oc-dispf2b-cartesianCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1438.8107522; Eh
Results 41-50 of 432 (Search time: 0.001 seconds).