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Showing results 2118 to 2137 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Sep-2021H2O2Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XDDEF2TZVP-151.574618887; Eh
thumbnail.jpeg19-Oct-2022h3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-3.2566655; Eh
thumbnail.jpeg18-Oct-2022h3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-3.2566655; Eh
thumbnail.jpeg13-Feb-2023h3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-3.2566655; Eh
thumbnail.jpeg19-Oct-2022h3bo3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-251.2274062; Eh
thumbnail.jpeg13-Feb-2023h3bo3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-251.2274062; Eh
thumbnail.jpeg19-Oct-2022h4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-4.3401455; Eh
thumbnail.jpeg18-Oct-2022h4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-4.3401455; Eh
thumbnail.jpeg13-Feb-2023h4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-4.3401455; Eh
thumbnail.jpeg19-Oct-2022h5Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-5.4236233; Eh
thumbnail.jpeg18-Oct-2022h5Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-5.4236233; Eh
thumbnail.jpeg13-Feb-2023h5Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-5.4236233; Eh
thumbnail.jpeg19-Oct-2022h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-6.5071017; Eh
thumbnail.jpeg18-Oct-2022h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-6.5071017; Eh
thumbnail.jpeg13-Feb-2023h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-6.5071017; Eh
thumbnail.jpeg23-Jun-2020H6H_HAT1_C7_piChannelWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-222.5232595; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_ESWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-236.350199; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_HAT1-C6Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-226.5627083; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_HAT1-C7Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-229.6056239; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_HAT1-C7piWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-222.5232595; Eh
Showing results 2118 to 2137 of 4618 < previous   next >