1. UdG

Browsing by Subject Homogeneous catalysis

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Showing results 21 to 40 of 124 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jul-2022dmbutanoic_IV-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3052734; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_IV-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3054363; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_IV_carb-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2776661; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_IV_carb-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2775753; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSII-III-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2796309; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSIII-IV_carbonyl-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2797171; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSIII-IV_oxyl-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2606277; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSIII-IV_oxyl-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2586345; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSIV-IV_direct-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3054923; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSIV-IV_ohrebound-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2875018; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSV_carb-IV-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.258697; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_TSV_carb-IV-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2586661; Eh
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
Showing results 21 to 40 of 124 < previous   next >