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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors C2H2_(opt-freq)_-_B3LYP_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-311++G(2D,2P)-77.3593276556; Eh
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 CH4_(opt-freq)_-_B3LYP_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-311++G(2D,2P)-40.5367027866; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_B3LYP_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-311++G(2D,2P)-920.418585877; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors OH_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM06L6-311++G(2D,2P)-75.7496079686; 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 CO_(opt-freq)_-_B3LYP_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-311++G(2D,2P)-113.352011655; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors C2H2_(opt-freq)_-_M06-2X_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311++G(2D,2P)-77.3199398617; Eh
Results 1-10 of 306 (Search time: 0.001 seconds).