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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Apr-2018CuOAcClH2O_dimerFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1923.66485699; Eh
thumbnail.jpeg19-Apr-2018TS10p-11pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.89056525; Eh
thumbnail.jpeg19-Apr-2018TS7-8Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2875.36147839; Eh
thumbnail.jpeg19-Apr-2018TS8-9Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2646.32123189; Eh
thumbnail.jpeg19-Apr-20186Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2875.39321833; Eh
thumbnail.jpeg19-Apr-2018TS24-25Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1229.28453098; Eh
thumbnail.jpeg19-Apr-2018TS25-26Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1229.30157652; Eh
thumbnail.jpeg19-Apr-20183Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-767.055568796; Eh
thumbnail.jpeg19-Apr-201812-CuII-CuIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB97DLANL2DZ; 6-31G*-2229.97704733; Eh
thumbnail.jpeg19-Apr-2018CpRhCl2_dimerFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-2447.50660355; Eh
Results 51-60 of 63 (Search time: 0.002 seconds).