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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Oct-2022PMI2-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-354.7527538; Eh
thumbnail.jpeg18-Oct-2022PMI2-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-354.7527538; Eh
thumbnail.jpeg13-Feb-2023PMI2-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg19-Oct-2022PMI2-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-445.4877739; Eh
thumbnail.jpeg18-Oct-2022PMI2-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-445.4877739; Eh
thumbnail.jpeg13-Feb-2023PMI2-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg19-Oct-2022PMI2-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-374.5699789; Eh
thumbnail.jpeg18-Oct-2022PMI2-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-374.5699789; Eh
thumbnail.jpeg13-Feb-2023PMI2-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-374.5699789; Eh
thumbnail.jpeg19-Oct-2022PMI2-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-465.3031107; Eh
thumbnail.jpeg18-Oct-2022PMI2-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-465.3031107; Eh
thumbnail.jpeg13-Feb-2023PMI2-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg18-Oct-2022pmi3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-279.8333518; Eh
thumbnail.jpeg13-Feb-2023pmi3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-279.8333518; Eh
thumbnail.jpeg19-Oct-2022pmi3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-279.8333518; Eh
thumbnail.jpeg19-Oct-2022PMI3-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-447.6488522; Eh
thumbnail.jpeg18-Oct-2022PMI3-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-447.6488522; Eh
thumbnail.jpeg13-Feb-2023PMI3-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg19-Oct-2022PMI3-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-538.3837128; Eh
thumbnail.jpeg18-Oct-2022PMI3-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-538.3837128; Eh