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.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/1ai 1ai_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-452.7611903; Eh
Login required21-Jun-2019/wB97X-D TS1-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1014.98638504; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1303.289261; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III TS_F_Cpstar_II_III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1303.2572297; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/2d 2d_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-616.5227025; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S25 S25García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1510.76367060; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TS_CF3_Cpstar_II_III TS_CF3_Cpstar_II_IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) LANL2DZ GENECP-1540.69260690; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VII_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-2334.1578077; Eh
Login required21-Jun-2019/wB97X-D TS3CsB-CMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1446.29430801; Eh
Login required21-Jun-2019/wB97X-D TS1-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1693.07987212; Eh
Results 1101-1110 of 1781 (Search time: 0.001 seconds).