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Showing results 170 to 189 of 252 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-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.jpeg19-Oct-2022PDA1-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-398.4111706; Eh
thumbnail.jpeg18-Oct-2022PDA1-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-489.16925; Eh
thumbnail.jpeg19-Oct-2022PDA1-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-489.16925; Eh
thumbnail.jpeg18-Oct-2022PDA1-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-508.9949774; Eh
thumbnail.jpeg19-Oct-2022PDA1-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-508.9949774; Eh
thumbnail.jpeg18-Oct-2022pda2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-383.2062821; Eh
thumbnail.jpeg19-Oct-2022pda2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-383.2062821; Eh
thumbnail.jpeg18-Oct-2022PDA2-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-550.9848286; Eh
thumbnail.jpeg19-Oct-2022PDA2-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-550.9848286; Eh
thumbnail.jpeg18-Oct-2022PDA2-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-641.7420608; Eh
thumbnail.jpeg19-Oct-2022PDA2-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-641.7420608; Eh
thumbnail.jpeg18-Oct-2022PDA2-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-570.8118132; Eh
thumbnail.jpeg19-Oct-2022PDA2-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-570.8118132; Eh
thumbnail.jpeg19-Oct-2022PDA2-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-661.5685692; Eh
thumbnail.jpeg18-Oct-2022PDA2-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-661.5685692; Eh
thumbnail.jpeg18-Oct-2022pda3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-535.7878092; Eh
thumbnail.jpeg19-Oct-2022pda3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-535.7878092; Eh
thumbnail.jpeg19-Oct-2022PDA3-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-703.5587681; Eh
Showing results 170 to 189 of 252 < previous   next >