Browsing by Author Besalú-Sala, Pau

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Oct-2022c6h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-230.7255634; Eh
thumbnail.jpeg18-Oct-2022c7h16Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-274.4301497; Eh
thumbnail.jpeg19-Oct-2022c7h16Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-274.4301497; Eh
thumbnail.jpeg18-Oct-2022c8h18Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-313.4687535; Eh
thumbnail.jpeg19-Oct-2022c8h18Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-313.4687535; Eh
thumbnail.jpeg18-Oct-2022ch4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-40.199428; Eh
thumbnail.jpeg19-Oct-2022ch4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-40.199428; Eh
thumbnail.jpeg18-Oct-2022coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-112.7516791; Eh
thumbnail.jpeg19-Oct-2022coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-112.7516791; Eh
thumbnail.jpeg18-Oct-2022co2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-187.657814; Eh
thumbnail.jpeg19-Oct-2022co2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-187.657814; Eh
thumbnail.jpeg13-Sep-2021da-endo-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(D,P)-573.5579309; Eh
thumbnail.jpeg13-Sep-2021da-endo-TSBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(D,P)-573.5331973; Eh
thumbnail.jpeg13-Sep-2021da-exo-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(D,P)-573.5579336; Eh
thumbnail.jpeg13-Sep-2021da-exo-TSBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(D,P)-573.531291; Eh
thumbnail.jpeg13-Sep-2021da_c60_R-56Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.1828758; Eh
thumbnail.jpeg13-Sep-2021da_c60_R-66Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.1844256; Eh
thumbnail.jpeg13-Sep-2021da_c60_TS-56Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.1412569; Eh
thumbnail.jpeg13-Sep-2021da_c60_TS-66Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.162827; Eh
Login required28-Jul-2022dmbutanoic_I-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2685.7682834; Eh