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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Nov-2022c60tpaBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-3203.9196533; Eh
thumbnail.jpeg30-Nov-2022c60znttp-acceptor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-2283.3108938; Eh
thumbnail.jpeg30-Nov-2022c60tpa-donor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-2417.1219945; Eh
thumbnail.jpeg30-Nov-2022c60tpa-acceptor-n+1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUCAM-B3LYPDEF2SVP-787.9571995; Eh
thumbnail.jpeg30-Nov-2022c60tpa-acceptor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-787.9946749; Eh
thumbnail.jpeg30-Nov-2022c60znttpBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-7188.1119612; Eh
thumbnail.jpeg30-Nov-2022c60tpa-donor-n-1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUCAM-B3LYPDEF2SVP-2416.8488675; Eh
thumbnail.jpeg30-Nov-2022c59npc-donor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-3876.902601; Eh
thumbnail.jpeg30-Nov-2022c60az-donor-n-1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUCAM-B3LYPDEF2SVP-699.1586465; Eh
thumbnail.jpeg30-Nov-2022c60az-acceptor-nBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRCAM-B3LYPDEF2SVP-2456.3775397; Eh
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