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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors HCN_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-92.9006488153; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-918.976045237; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CO2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-187.692273854; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors F2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-198.739389596; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CO_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-112.772313224; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-
thumbnail.jpeg14-Sep-2023/Scaling_factors NH3_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-56.2178846583; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2O_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-183.726537125; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors N2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-108.973134248; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HF_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMP2-FC6-311++G(2D,2P)-100.055080356; Eh
Results 71-80 of 80 (Search time: 0.001 seconds).