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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20177major_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-4183.24726772; Eh
thumbnail.jpeg29-Sep-2017TSminor_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3227.26689477; Eh
thumbnail.jpeg29-Sep-2017TSmajor_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3227.26777507; Eh
thumbnail.jpeg29-Sep-20175_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-1808.69525247; Eh
thumbnail.jpeg29-Sep-20172_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDlanl2dz; 6-31+g(d)-2354.69754347; Eh
thumbnail.jpeg29-Sep-20171Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-440.126977109; Eh
thumbnail.jpeg29-Sep-2017TSmajor_d_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3868.82516852; Eh
thumbnail.jpeg29-Sep-2017TSminor_d_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3868.82106378; Eh
thumbnail.jpeg29-Sep-2017TSminor_e_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDlanl2dz; 6-31+g(d)-3541.76919073; Eh
thumbnail.jpeg29-Sep-2017TSmajor_e_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDlanl2dz; 6-31+g(d)-3541.77029945; Eh
Results 1-10 of 120 (Search time: 0.001 seconds).