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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors CO2_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-188.480349164; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-920.315823532; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CH4_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-40.4851448643; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors F2_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-199.477213799; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-1.16482316980; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CO_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-113.254670118; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors C2H2_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVQZ-77.3295671965; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors NH3_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVTZ-56.5497102720; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CH4_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVQZ-40.5048873229; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVQZ-920.380740597; Eh
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