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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors N2_(opt-freq)_-_M06-2X_3-21G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X3-21G-108.845125360; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HF_(opt-freq)_-_M06-2X_3-21G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X3-21G-99.8261482359; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2_(opt-freq)_-_M06-2X_3-21G_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X3-21G-1.16014129859; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors C2H2_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVTZ-77.3245033141; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors NH3_(opt-freq)_-_M06-2X_cc-pVDZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVDZ-56.5212467207; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2O_(opt-freq)_-_M06-2X_cc-pVDZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVDZ-184.611215697; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVTZ-920.374244771; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2_(opt-freq)_-_M06-2X_cc-pVDZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVDZ-109.502539891; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HF_(opt-freq)_-_M06-2X_cc-pVDZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVDZ-100.402782814; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CO_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XCC-PVTZ-113.318864429; Eh
Results 41-50 of 165 (Search time: 0.001 seconds).