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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1302.98609836; Eh
Login required21-Jun-2019/wB97X-D Int-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1712.99761187; Eh
Login required21-Jun-2019/wB97X-D ProductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-814.925707071; Eh
Login required21-Jun-2019/wB97X-D TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1446.27348492; Eh
Login required21-Jun-2019/wB97X-D Prev-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1014.99698831; Eh
Login required21-Jun-2019/wB97X-D Int1-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1015.04707058; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III/NBO TS_F_Cpstar_II_III_nboGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1302.9533769; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S13 S13_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-984.1509391; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/2d 2dGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-616.430494637; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) LANL2DZ GENECP-2333.77770912; Eh
Results 1111-1120 of 1702 (Search time: 0.003 seconds).