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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jul-2022RRMnpdp-RCBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5249475; Eh
thumbnail.jpeg28-Jul-2022RRMnpdp-TS18aBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5133112; Eh
thumbnail.jpeg28-Jul-2022RRMnpdp-TS18bBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5058282; Eh
thumbnail.jpeg28-Jul-2022SSMnpdp-RCBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5267354; Eh
thumbnail.jpeg28-Jul-2022SSMnpdp-TS18aBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5066787; Eh
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_TSII-III-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2796309; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_II-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3001318; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_III-S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2774234; Eh
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