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Showing results 3672 to 3691 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Feb-2023pmi4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-372.7276946; Eh
thumbnail.jpeg19-Oct-2022pmi4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-372.7276946; Eh
thumbnail.jpeg19-Oct-2022PMI4-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-540.5450437; Eh
thumbnail.jpeg18-Oct-2022PMI4-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-540.5450437; Eh
thumbnail.jpeg13-Feb-2023PMI4-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg19-Oct-2022PMI4-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-631.2798044; Eh
thumbnail.jpeg18-Oct-2022PMI4-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-631.2798044; Eh
thumbnail.jpeg13-Feb-2023PMI4-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg19-Oct-2022PMI4-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-560.3608412; Eh
thumbnail.jpeg13-Feb-2023PMI4-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg18-Oct-2022PMI4-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-560.3608412; Eh
thumbnail.jpeg19-Oct-2022PMI4-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-651.0946603; Eh
thumbnail.jpeg13-Feb-2023PMI4-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-651.0946603; Eh
thumbnail.jpeg18-Oct-2022PMI4-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-651.0946603; Eh
thumbnail.jpeg18-Oct-2022pmi5Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-465.6225213; Eh
thumbnail.jpeg13-Feb-2023pmi5Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-465.6225213; Eh
thumbnail.jpeg19-Oct-2022pmi5Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-465.6225213; Eh
thumbnail.jpeg19-Oct-2022PMI5-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-633.4412739; Eh
thumbnail.jpeg13-Feb-2023PMI5-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg18-Oct-2022PMI5-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-633.4412739; Eh