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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Apr-2022GKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM062XDEF2SVP-835.937143819; Eh
thumbnail.jpeg4-Apr-2022IKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM062XDEF2SVP-129.738049405; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_6-31G_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumUM062X6-31G-75.6736483011; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumUM062XCC-PVTZ-75.7304867513; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_3-21G_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumUM062X3-21G-75.2675298270; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_cc-pVDZ_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumUM062XCC-PVDZ-75.7004661267; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_def2-TZVP_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumUM062XDEF2TZVP-75.7320196834; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumUM062X6-311++G(2D,2P)-75.7284516880; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062X6-311++G-75.7072826590; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-2X_6-311G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062X6-311G-75.7014319516; Eh
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