Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20181_Int1bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.77429017; Eh
thumbnail.jpeg8-May-20181_TS1bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1161.73611261; Eh
thumbnail.jpeg8-May-20181_PFernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.85797794; Eh
thumbnail.jpeg8-May-20181_TS1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1161.74199126; Eh
thumbnail.jpeg8-May-20183_R_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM06; TD-FClanl2dz; 6-31+g(d)-900.860845358; Eh
thumbnail.jpeg8-May-20184_TS1bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1129.60758854; Eh
thumbnail.jpeg8-May-20184_RFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-979.424294429; Eh
thumbnail.jpeg8-May-20183_TS1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1051.05777702; Eh
thumbnail.jpeg8-May-20182_TS1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1106.40054021; Eh
thumbnail.jpeg8-May-20181_DFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.75195677; Eh
Results 1-10 of 20 (Search time: 0.002 seconds).