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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2022PMI3-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-538.3837128; Eh
thumbnail.jpeg18-Oct-2022PA4-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-413.492789; Eh
thumbnail.jpeg18-Oct-2022PDA1-CHO-OHBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-418.2348517; Eh
thumbnail.jpeg18-Oct-2022PDA1-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-398.4111706; Eh
thumbnail.jpeg18-Oct-2022b(oh)3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-251.2274062; Eh
thumbnail.jpeg18-Oct-2022co2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-187.657814; Eh
thumbnail.jpeg18-Oct-2022coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-112.7516791; Eh
thumbnail.jpeg18-Oct-2022PDA2-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-641.7420608; Eh
thumbnail.jpeg18-Oct-2022PDA2-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-550.9848286; Eh
thumbnail.jpeg18-Oct-2022pa6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-462.529887; Eh
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