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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors N2O_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-184.711744092; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors NH3_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-56.5708715990; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-109.545727596; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HF_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-100.465727630; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2CO_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-114.524436370; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2O_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-76.4448156642; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HCN_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-93.4386064347; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-920.367481195; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CO2_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-188.634691685; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors F2_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-199.547162396; Eh
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