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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Nov-2023/Cluster_M06-L MLLe, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRM06LDEF2SVP GEN-459.950609346; Eh
thumbnail.jpeg15-Nov-2023/Cluster_M06-L Me2COLe, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRM06LDEF2SVP GEN-192.986236451; Eh
thumbnail.jpeg15-Nov-2023/Cluster_M06-L iPrOHLe, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRM06LDEF2SVP GEN-194.183322544; Eh
thumbnail.jpeg15-Nov-2023/Cluster_M06-L GVLLe, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRM06LDEF2SVP GEN-345.516708565; Eh
thumbnail.jpeg15-Nov-2023/Cluster_M06-L MeOHLe, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRM06LDEF2SVP GEN-115.613288466; 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 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 H2CO_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvationNicolaou, MichaelGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06L6-311++G(2D,2P)-114.524436370; Eh
Results 431-440 of 652 (Search time: 0.002 seconds).