Browsing by Author Besalú-Sala, Pau

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2022c2h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-79.2368593; Eh
thumbnail.jpeg19-Oct-2022c2h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-79.2368593; Eh
thumbnail.jpeg18-Oct-2022c3h8Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-118.2756736; Eh
thumbnail.jpeg19-Oct-2022c3h8Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-118.2756736; Eh
thumbnail.jpeg18-Oct-2022c4h10Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-157.3143395; Eh
thumbnail.jpeg19-Oct-2022c4h10Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-157.3143395; Eh
thumbnail.jpeg19-Oct-2022c4h8Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-156.1236944; Eh
thumbnail.jpeg18-Oct-2022c4h9choBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-270.0531662; Eh
thumbnail.jpeg19-Oct-2022c4h9choBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-270.0531662; Eh
thumbnail.jpeg18-Oct-2022c4h9cohn2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-325.1260728; Eh
thumbnail.jpeg19-Oct-2022c4h9conh2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-325.1260728; Eh
thumbnail.jpeg18-Oct-2022c4h9coohBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-344.9633966; Eh
thumbnail.jpeg19-Oct-2022c4h9coohBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-344.9633966; Eh
thumbnail.jpeg18-Oct-2022c4h9nh2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-212.3488193; Eh
thumbnail.jpeg19-Oct-2022c4h9nh2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-212.3488193; Eh
thumbnail.jpeg18-Oct-2022c4h9ohBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-232.1818902; Eh
thumbnail.jpeg19-Oct-2022c4h9ohBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-232.1818902; Eh
thumbnail.jpeg30-Nov-2022c59npc-acceptor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-2300.5439368; Eh
thumbnail.jpeg30-Nov-2022c59npc-acceptor-n+1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUCAM-B3LYPDEF2SVP-2300.626372; Eh
thumbnail.jpeg30-Nov-2022c59npc-donor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-3876.902601; Eh