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Browsing by Author Besalú-Sala, Pau

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Showing results 120 to 139 of 469 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg18-Oct-2022fcnBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-191.7140447; Eh
thumbnail.jpeg19-Oct-2022fcnBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-191.7140447; Eh
thumbnail.jpeg13-Feb-2023fcnBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-191.7140447; Eh
thumbnail.jpeg18-Oct-2022h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg19-Oct-2022h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg13-Feb-2023h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg18-Oct-2022h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg19-Oct-2022h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg13-Feb-2023h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg18-Oct-2022h2coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-113.883149; Eh
thumbnail.jpeg19-Oct-2022h2coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-113.883149; Eh
thumbnail.jpeg13-Feb-2023h2coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-113.883149; Eh
thumbnail.jpeg18-Oct-2022h2co3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-263.6961098; Eh
Showing results 120 to 139 of 469 < previous   next >