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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors H2O_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-76.3876537868; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2O_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-184.548894079; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HCN_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-93.3792389306; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-109.461889953; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HF_(opt-freq)_-_M06-2X_6-311++G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G-100.420119070; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2CO_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XAUG-CC-PVQZ-114.505096726; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2O_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XAUG-CC-PVQZ-76.4340684905; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors NH3_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XAUG-CC-PVQZ-56.5563605013; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2O_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XAUG-CC-PVQZ-184.675770862; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HCN_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XAUG-CC-PVQZ-93.4287552329; Eh
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