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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2022h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg19-Oct-2022h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg13-Feb-2023h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg18-Oct-2022h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg19-Oct-2022h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg13-Feb-2023h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
Login required18-Oct-2023H2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1.17360209844; Eh
thumbnail.jpeg18-Oct-2022h2coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-113.883149; Eh
thumbnail.jpeg19-Oct-2022h2coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-113.883149; Eh
thumbnail.jpeg13-Feb-2023h2coBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-113.883149; Eh
thumbnail.jpeg18-Oct-2022h2co3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-263.6961098; Eh
thumbnail.jpeg19-Oct-2022h2co3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-263.6961098; Eh
thumbnail.jpeg13-Feb-2023h2co3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-263.6961098; Eh
thumbnail.jpeg18-Oct-2022h2oBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-76.0407617; Eh
thumbnail.jpeg19-Oct-2022h2oBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-76.0407617; Eh
thumbnail.jpeg13-Feb-2023h2oBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-76.0407617; Eh
thumbnail.jpeg18-Oct-2022h2o2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-150.7994411; Eh
thumbnail.jpeg19-Oct-2022h2o2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-150.7994411; Eh
thumbnail.jpeg13-Feb-2023h2o2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-150.7994411; Eh
thumbnail.jpeg20-Sep-2021H2O2Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XDDEF2TZVP-151.574618887; Eh