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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required28-Jul-2022hexanoic-TS_carb-delta-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.258796; Eh
Login required28-Jul-2022KIE_RC_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-4883.5405296; Eh
Login required28-Jul-2022dmbutanoic_I-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2685.7891648; Eh
Login required28-Jul-2022hexanoic-TS_carb-gamma-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2587802; Eh
Login required28-Jul-2022hexanoic-TS_oxo-gamma-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2828292; Eh
Login required28-Jul-2022hexanoic-MnIV_oxyl_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2936001; Eh
Login required28-Jul-2022dmbutanoic_IV_carb-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2776661; Eh
Login required28-Jul-2022hexanoic-MnIII_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2923937; Eh
Login required28-Jul-2022KIE_ts_oxo_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2SVP-4879.60256632; Eh
Login required28-Jul-2022dmbutanoic_II-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3001318; Eh
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