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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019CYCLOPENTADIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYP--194.115117243; Eh
thumbnail.jpeg3-Oct-2019I2_55_Singlet_Open_ShellArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.25534942; Eh
thumbnail.jpeg3-Oct-2019I1_56d_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.23964694; Eh
thumbnail.jpeg3-Oct-2019I2_56d_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24059501; Eh
thumbnail.jpeg3-Oct-2019I1_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.23889656; Eh
thumbnail.jpeg3-Oct-2019I1_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24144297; Eh
thumbnail.jpeg3-Oct-2019C68_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2591.11753126; Eh
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