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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Apr-201810pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.91562074; Eh
thumbnail.jpeg19-Apr-20187Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2875.38043431; Eh
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-201812-CuII-CuIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB97DLANL2DZ; 6-31G*-2229.97704733; Eh
thumbnail.jpeg19-Apr-201812-CuII-CuIIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB97DLANL2DZ; 6-31G*-2690.18282585; Eh
thumbnail.jpeg19-Apr-201811pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.94658089; Eh
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