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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-2017TSmajor_c_phenylFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3829.51665934; Eh
thumbnail.jpeg29-Sep-2017TSPAFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDlanl2dz; 6-31+g(d)-2856.21677656; Eh
thumbnail.jpeg29-Sep-2017TSmajor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUwB97XDlanl2dz; 6-31+g(d)-3947.49754039; Eh
thumbnail.jpeg17-Jan-2019/L2 TS1d-eFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1410.03010161; Eh
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