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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2017TSminor_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3227.26689477; 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_tbu_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3868.82803667; Eh
thumbnail.jpeg29-Sep-2017TSmajor_tbu_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3868.82383426; Eh
thumbnail.jpeg29-Sep-2017TSmajor_c_phenylFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3829.51665934; Eh
thumbnail.jpeg3-Feb-2017TS1_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; M062X; UFF--983.264095149; Eh
thumbnail.jpeg3-Feb-2017TS2_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; M062X; UFF--983.258099066; Eh
Results 1-9 of 9 (Search time: 0.002 seconds).