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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Sep-2021PBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XDDEF2TZVP-1087.59078926; Eh
thumbnail.jpeg12-Dec-2023PBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-368.9709642; Eh
thumbnail.jpeg4-Mar-2019P_B3LYP_BS2Stanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_B3LYP_PCMStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_Cl_B3LYP_BS2Stanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_Cl_B3LYP_PCMStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_Cl_TPSShStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUTPSSh--
thumbnail.jpeg4-Mar-2019P_Cl_wB97XDStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUwB97XD--
thumbnail.jpeg4-Mar-2019P_TPSShStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUTPSSh--
thumbnail.jpeg4-Mar-2019P_wB97XDStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUwB97XD--
thumbnail.jpeg18-Oct-2022pa1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-78.0433217; Eh
thumbnail.jpeg19-Oct-2022pa1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-78.0433217; Eh
thumbnail.jpeg13-Feb-2023pa10Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-385.6324154; Eh
thumbnail.jpeg19-Oct-2022PA10-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-553.4183531; Eh
thumbnail.jpeg13-Feb-2023PA10-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-553.4183531; Eh
thumbnail.jpeg18-Oct-2022PA10-NH2-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-553.4183531; Eh
thumbnail.jpeg19-Oct-2022PA10-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-644.1779089; Eh
thumbnail.jpeg13-Feb-2023PA10-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg18-Oct-2022PA10-NH2-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-644.1779089; Eh
thumbnail.jpeg19-Oct-2022PA10-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-573.2450409; Eh