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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-20173d_primaFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-842.484120523; Eh
thumbnail.jpeg26-Jan-2017TS1d-eFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1331.38744399; Eh
thumbnail.jpeg26-Jan-20172aFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-993.847059045; Eh
thumbnail.jpeg26-Jan-20173a-HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-842.803108262; Eh
thumbnail.jpeg26-Oct-2017/THF TS-4-5-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1797.82233890; Eh
thumbnail.jpeg19-Apr-201826pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1229.34365117; Eh
thumbnail.jpeg19-Apr-201812-RhIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97DLANL2DZ; 6-31G*-303.048678591; Eh
thumbnail.jpeg19-Apr-201826Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1229.34438947; Eh
thumbnail.jpeg19-Apr-2018TS10-11Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.89453899; Eh
thumbnail.jpeg19-Apr-2018TS15-17Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1070.22280587; Eh
Results 31-40 of 531 (Search time: 0.002 seconds).