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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019TS_66_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.21244452; Eh
thumbnail.jpeg3-Oct-2019TS_56f_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22952927; Eh
thumbnail.jpeg3-Oct-2019TS_55_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.22568918; Eh
thumbnail.jpeg3-Oct-2019TS_56d_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22292762; Eh
thumbnail.jpeg3-Oct-2019CYCLOPENTADIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYP--194.115117243; Eh
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