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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Sep-2023/Scaling_factors N2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-109.493287627; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors H2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-1.17104534572; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors F2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-199.497957761; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors HF_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-100.449461092; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors C2H2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-77.2907179728; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CH4_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-40.4907974044; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors Cl2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-920.346556605; Eh
thumbnail.jpeg14-Sep-2023/Scaling_factors CO_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-113.288850265; Eh
thumbnail.jpeg14-Sep-2023/Vanillin_benchmark Vanillin_(opt)_-_M06_6-311++G(2d,2p)_-_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM066-311++G(2D,2P)-535.147094840; Eh
thumbnail.jpeg14-Sep-2023/Vanillin_benchmark Vanillin_(freq)_-_M06_6-311++G(2d,2p)_-_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311++G(2D,2P)-535.147094840; Eh
Results 531-540 of 540 (Search time: 0.002 seconds).