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 V_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1512.8272557; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET VGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1512.54964304; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET I_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1265.8592791; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET 7García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1877.78424617; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS28_S29 TSS28-S29García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) LANL2DZ GENECP-1394.59593581; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS28_S29 TSS28-S29_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1394.8517558; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/III IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1007.20332418; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/III III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1007.4349457; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/2b 2bGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1181.34099213; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/2b 2b_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1181.4860893; Eh
Results 1-10 of 281 (Search time: 0.001 seconds).