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Showing results 21 to 40 of 50 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jul-2022dmbutanoic_V_carb-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2772965; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_V_carb-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2773076; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_VII-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3757232; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_VII-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3956941; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIII_S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2600407; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIII_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.278459; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIII_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2923937; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIV_oxyl_S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2726177; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIV_oxyl_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2936001; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIV_oxyl_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2745739; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-beta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2464312; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-delta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2622492; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-delta-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.258796; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-gamma-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2623944; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-gamma-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2587802; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-beta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2889577; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-delta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2881913; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-gamma-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2828292; Eh
thumbnail.jpeg28-Jul-2022KIE_RC_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-4883.5405296; Eh
thumbnail.jpeg28-Jul-2022KIE_RC_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-4883.5243857; Eh
Showing results 21 to 40 of 50 < previous   next >